(2S)-N-[(1S)-2-(4-{2-[ethyl({4-[2-(4-nitrophenyl)diazen-1-yl]phenyl})amino]ethoxy}phenyl)-1-{[(3S,5R,9S,11R)-11-[(2S)-3-(4-{2-[ethyl({4-[2-(4-nitrophenyl)diazen-1-yl]phenyl})amino]ethoxy}phenyl)-2-[(2S)-2-[(2S)-2-(hex-5-enamido)-3-phenylpropanamido]-4-[(triphenylmethyl)carbamoyl]butanamido]propanamido]-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]carbamoyl}ethyl]-2-[(2S)-2-(hex-5-enamido)-3-phenylpropanamido]-N'-(triphenylmethyl)pentanediamide

化合物标识与属性

PubChem CID

177528903

SMILES

CCN(CCOC1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H]2C[C@H]3C(=O)N4C[C@@H](C[C@H]4C(=O)N3C2)NC(=O)[C@H](CC5=CC=C(C=C5)OCCN(CC)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)[N+](=O)[O-])NC(=O)[C@H](CCC(=O)NC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCC=C)NC(=O)[C@H](CCC(=O)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCC=C)C1=CC=C(C=C1)N=NC1=CC=C(C=C1)[N+](=O)[O-]

Canonical SMILES

C=CCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccc(OCCN(CC)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)N[C@@H]1C[C@H]2C(=O)N3C[C@H](NC(=O)[C@H](Cc4ccc(OCCN(CC)c5ccc(N=Nc6ccc([N+](=O)[O-])cc6)cc5)cc4)NC(=O)[C@H](CCC(=O)NC(c4ccccc4)(c4ccccc4)c4ccccc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)CCCC=C)C[C@H]3C(=O)N2C1