Chemical Compound

(2S)-N-[(1S)-1-[(1-{[(1S)-1-{[(1S)-1-[(1-{[(1S)-1-{[(1S)-1-[(1-carbamoyl-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-4-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}butyl]carbamoyl}-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]-2-[3-({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl}formamido)propanamido]-6-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}hexanamide

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(2S)-N-[(1S)-1-[(1-{[(1S)-1-{[(1S)-1-[(1-{[(1S)-1-{[(1S)-1-[(1-carbamoyl-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-4-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}butyl]carbamoyl}-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]-2-[3-({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl}formamido)propanamido]-6-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}hexanamide 结构式
Primary record

(2S)-N-[(1S)-1-[(1-{[(1S)-1-{[(1S)-1-[(1-{[(1S)-1-{[(1S)-1-[(1-carbamoyl-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-4-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}butyl]carbamoyl}-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]-2-[3-({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl}formamido)propanamido]-6-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}hexanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177543350
SMILES
CC(C)(C(=O)N)NC(=O)[C@H](CCCCN1C=C(N=N1)CN2C(=O)C=CC2=O)NC(=O)[C@H](CCCCN3C=C(N=N3)CN4C(=O)C=CC4=O)NC(=O)C(C)(C)NC(=O)[C@H](CCCCN5C=C(N=N5)CN6C(=O)C=CC6=O)NC(=O)[C@H](CCCN7C=C(N=N7)CN8C(=O)C=CC8=O)NC(=O)C(C)(C)NC(=O)[C@H](CCCCN9C=C(N=N9)CN1C(=O)C=CC1=O)NC(=O)[C@H](CCCCN1C=C(N=N1)CN1C(=O)C=CC1=O)NC(=O)CCNC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(C=C(C=C2)O)OC2=C1C=CC(=C2)O
Canonical SMILES
CC(C)(NC(=O)[C@H](CCCCn1cc(CN2C(=O)C=CC2=O)nn1)NC(=O)[C@H](CCCCn1cc(CN2C(=O)C=CC2=O)nn1)NC(=O)C(C)(C)NC(=O)[C@H](CCCCn1cc(CN2C(=O)C=CC2=O)nn1)NC(=O)[C@H](CCCn1cc(CN2C(=O)C=CC2=O)nn1)NC(=O)C(C)(C)NC(=O)[C@H](CCCCn1cc(CN2C(=O)C=CC2=O)nn1)NC(=O)[C@H](CCCCn1cc(CN2C(=O)C=CC2=O)nn1)NC(=O)CCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(N)=O

名称与同义词

  • J3.733.490A
  • (2S)-N-[(1S)-1-[(1-{[(1S)-1-{[(1S)-1-[(1-{[(1S)-1-{[(1S)-1-[(1-carbamoyl-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]carbamoyl}-4-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}butyl]carbamoyl}-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}pentyl]-2-[3-({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl}formamido)propanamido]-6-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}hexanamide
  • (2S)-N-[(1S)-1-[(1-{[(1S)-1-{[(1S)-1-[(1-{[(1S)-1-{[(1S)-1-[(1-carbamoyl-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxopyrrol-1-yl)methyl]-1,2,3-triazol-1-yl}pentyl]carbamoyl}-5-{4-[(2,5-dioxopyrrol-1-yl)methyl]-1,2,3-triazol-1-yl}pentyl]carbamoyl}-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxopyrrol-1-yl)methyl]-1,2,3-triazol-1-yl}pentyl]carbamoyl}-4-{4-[(2,5-dioxopyrrol-1-yl)methyl]-1,2,3-triazol-1-yl}butyl]carbamoyl}-1-methylethyl)carbamoyl]-5-{4-[(2,5-dioxopyrrol-1-yl)methyl]-1,2,3-triazol-1-yl}pentyl]-2-(3-{3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthen]-6-ylformamido}propanamido)-6-{4-[(2,5-dioxopyrrol-1-yl)methyl]-1,2,3-triazol-1-yl}hexanamide