3-[(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,36S,39S,42S,45S,51S,54S,57S,60S,65aS)-36-(4-aminobutyl)-3-benzyl-9,27,57-tris(3-carbamimidamidopropyl)-30-(carbamoylmethyl)-6,60-bis(hydroxymethyl)-24,54-bis[(4-hydroxyphenyl)methyl]-18-[(1H-imidazol-4-yl)methyl]-51-[(1H-indol-3-yl)methyl]-21-(2-methylpropyl)-39-[2-(methylsulfanyl)ethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61-henicosaoxo-12,15,45-tris(propan-2-yl)-tetrahexacontahydro-1H-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61-henicosaazacyclotrihexacontan-42-yl]propanoic acid

化合物标识与属性

PubChem CID

177507981

SMILES

CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CNC=N3)C(C)C)C(C)C)CCCNC(=N)N)CO)CC4=CC=CC=C4)CO)CCCNC(=N)N)CC5=CC=C(C=C5)O)CC6=CNC7=CC=CC=C76)C(C)C)CCC(=O)O)CCSC)CCCCN)CC(=O)N)CCCNC(=N)N)CC8=CC=C(C=C8)O

Canonical SMILES

CSCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC1=O