Chemical Compound

tert-butyl N-[(5S)-5-[({[(1S)-2-{4-[bis(2-chloroethyl)amino]phenyl}-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-5-{[(tert-butoxy)carbonyl]amino}pentyl]carbamate

tert-butyl N-[(5S)-5-[({[(1S)-2-{4-[bis(2-chloroethyl)amino]phenyl}-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-5-{[(tert-butoxy)carbonyl]amino}pentyl]carbamate 结构式
Primary record

tert-butyl N-[(5S)-5-[({[(1S)-2-{4-[bis(2-chloroethyl)amino]phenyl}-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-5-{[(tert-butoxy)carbonyl]amino}pentyl]carbamate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101651720
SMILES
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)N(CCCl)CCCl)NC(=O)CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(C)C)C(N)=O

名称与同义词

  • J553.056C
  • N2,N6-Bis(tert-butyloxycarbonyl)-L-Lys-Gly-4-[bis(2-chloroethyl)amino]-L-Phe-L-Gln-L-Trp-L-Ala-L-Val-Gly-L-Leu-L-Met-NH2
  • tert-butyl N-[(5S)-5-[({[(1S)-2-{4-[bis(2-chloroethyl)amino]phenyl}-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-5-{[(tert-butoxy)carbonyl]amino}pentyl]carbamate