Chemical Compound

(2S)-6-amino-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[4-(4-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}piperidine-1-carbonyl)piperidin-1-yl]-4,4-dimethyl-1-oxopentan-2-yl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(1R,4S,10R)-12-(2-chloroacetyl)-2-oxo-9-thia-3,12-diazatricyclo[8.2.1.03,7]tridecan-4-yl]formamido}propanamido]propanamido]propanamido]propanamido]hexanamide

(2S)-6-amino-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[4-(4-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}piperidine-1-carbonyl)piperidin-1-yl]-4,4-dimethyl-1-oxopentan-2-yl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(1R,4S,10R)-12-(2-chloroacetyl)-2-oxo-9-thia-3,12-diazatricyclo[8.2.1.03,7]tridecan-4-yl]formamido}propanamido]propanamido]propanamido]propanamido]hexanamide 结构式
Primary record

(2S)-6-amino-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[4-(4-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}piperidine-1-carbonyl)piperidin-1-yl]-4,4-dimethyl-1-oxopentan-2-yl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(1R,4S,10R)-12-(2-chloroacetyl)-2-oxo-9-thia-3,12-diazatricyclo[8.2.1.03,7]tridecan-4-yl]formamido}propanamido]propanamido]propanamido]propanamido]hexanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101147759
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)(C)C)C(=O)N1CCC(CC1)C(=O)N2CCC(CC2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)[C@@H]5CCC6N5C(=O)[C@H]7C[C@H](CN7C(=O)CCl)SC6
Canonical SMILES
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC2CS[C@@H]3C[C@H](C(=O)N21)N(C(=O)CCl)C3)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)(C)C)C(=O)N1CCC(C(=O)N2CCC(C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)CC2)CC1

名称与同义词

  • J1.640.469A
  • (2S)-6-amino-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[4-(4-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}piperidine-1-carbonyl)piperidin-1-yl]-4,4-dimethyl-1-oxopentan-2-yl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(1R,4S,10R)-12-(2-chloroacetyl)-2-oxo-9-thia-3,12-diazatricyclo[8.2.1.03,7]tridecan-4-yl]formamido}propanamido]propanamido]propanamido]propanamido]hexanamide
  • N2-[1-[1-[N-[[(3S)-4-Oxo-6-(chloroacetyl)-5beta,8beta-methanooctahydro-1H,4H-9-thia-3a,6-diazacyclopentacyclononene-3beta-yl]carbonyl]-L-Ala-L-Ala-L-Ala-L-Ala-L-Lys-L-Ala-L-Ala-L-Ala-4-methyl-L-Leu-]piperidine-4-ylcarbonyl]piperidine-4-ylcarbonyl]-L-Lys-L-Lys-L-Lys-L-Lys-L-Trp-NH2