(2S)-2-[(3S,4R,7S,13R,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-3-[(2S)-3-carbamoyl-2-[(3Z)-12-methyltridec-3-enamido]propanamido]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-(propan-2-yl)-1,5,11,14,17,20,23,26,29,32-decaazatricyclo[32.4.0.07,11]octatriacontan-31-yl]propanoic acid

化合物标识与属性

PubChem CID

102237796

SMILES

C[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N3CCC[C@H]3C(=O)N1)C(C)C)[C@@H](C)N)CC(=O)O)CC(=O)O)[C@H](C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)C/C=C\CCCCCCCC(C)C

Canonical SMILES

CC(C)CCCCCCC/C=C\CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@@H]([C@H](C)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H]([C@@H](C)N)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H]1C