prop-2-en-1-yl (2S)-2-[(2S)-2-[(2S)-2-[(2S)-3-{[(2S,3R,4R,5S,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-(2,2,2-trifluoroacetamido)oxan-2-yl]sulfanyl}-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-{[(2S)-1-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-phenylpropanamido]-3-[(triphenylmethyl)carbamoyl]propanamido]-4-[(triphenylmethyl)carbamoyl]butanamido]propanamido]-3-methylbutanamido]-5-{[(2-chlorophenyl)diphenylmethyl]amino}pentanamido]-4-methylpentanoate

化合物标识与属性

PubChem CID

177548476

SMILES

CC(C)C[C@@H](C(=O)OCC=C)NC(=O)[C@H](CCCNC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3Cl)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CS[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C(F)(F)F)NC(=O)[C@H](CCC(=O)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)NC(=O)[C@H](CC(=O)NC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

Canonical SMILES

C=CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(c1ccccc1)(c1ccccc1)c1ccccc1Cl)NC(=O)[C@@H](NC(=O)[C@@H](CS[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(=O)C(F)(F)F)NC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C