Chemical Compound

(3S,6R,11R,14R,17S,22aS)-N-{2-[(2S)-2-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-2-{[(4-methylphenyl)methyl]sulfanyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-11-[(2S,3S)-2-amino-3-methylpentanamido]-17-(carbamoylmethyl)-3-methyl-14-({[(4-methylphenyl)methyl]sulfanyl}methyl)-1,4,12,15,18-pentaoxo-icosahydropyrrolo[2,1-j]1,2-dithia-5,8,11,14,17-pentaazacycloicosane-6-carboxamide

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(3S,6R,11R,14R,17S,22aS)-N-{2-[(2S)-2-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-2-{[(4-methylphenyl)methyl]sulfanyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-11-[(2S,3S)-2-amino-3-methylpentanamido]-17-(carbamoylmethyl)-3-methyl-14-({[(4-methylphenyl)methyl]sulfanyl}methyl)-1,4,12,15,18-pentaoxo-icosahydropyrrolo[2,1-j]1,2-dithia-5,8,11,14,17-pentaazacycloicosane-6-carboxamide 结构式
Primary record

(3S,6R,11R,14R,17S,22aS)-N-{2-[(2S)-2-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-2-{[(4-methylphenyl)methyl]sulfanyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-11-[(2S,3S)-2-amino-3-methylpentanamido]-17-(carbamoylmethyl)-3-methyl-14-({[(4-methylphenyl)methyl]sulfanyl}methyl)-1,4,12,15,18-pentaoxo-icosahydropyrrolo[2,1-j]1,2-dithia-5,8,11,14,17-pentaazacycloicosane-6-carboxamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177508228
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@H]1CSSCC(NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)CSCC3=CC=C(C=C3)C)CC(=O)N)C)C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCC6=CC=C(C=C6)C)C(=O)N)N
Canonical SMILES
CC[C@H](C)[C@H](N)C(=O)N[C@H]1CSSCC(C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCc2ccc(C)cc2)C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSCc2ccc(C)cc2)NC1=O

名称与同义词

  • J1.314.945C
  • (3S,6R,11R,14R,17S,22aS)-N-{2-[(2S)-2-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-2-{[(4-methylphenyl)methyl]sulfanyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-11-[(2S,3S)-2-amino-3-methylpentanamido]-17-(carbamoylmethyl)-3-methyl-14-({[(4-methylphenyl)methyl]sulfanyl}methyl)-1,4,12,15,18-pentaoxo-icosahydropyrrolo[2,1-j]1,2-dithia-5,8,11,14,17-pentaazacycloicosane-6-carboxamide
  • L-Ile-L-Cys(1)-S-(4-Methylbenzyl)-L-Cys-L-Asn-L-Pro-L-Ala-L-Cys(1)-Gly-L-Pro-L-Lys-L-Tyr-L-Ser-S-(4-methylbenzyl)-L-Cys-NH2