HIT ID: HIT213840748
Cas No: T22175L;2763584-14-9
分子式: C92H158N30O19
分子量: 1988.467
常用名: ZIP (SCRAMBLED) Acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-tetradecanamidopentanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]pentanamido]hexanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]propanamido]acetamido}-5-carbamimidamidopentanoic acid; acetic acid
IUPAC: (2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-tetradecanamidopentanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]pentanamido]hexanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]propanamido]acetamido}-5-carbamimidamidopentanoic acid; acetic acid
SMILES: CC(O)=O.CCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES: CC(O)=O.CCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI key: AFOAEBCWCHNSMC-CQUAHXNOSA-N
