HIT ID: HIT218801738

Cas No: T35399L

分子式: C45H74N12O12

分子量: 975.159

常用名: (2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-acetamido-3-phenylpropanamido]hexanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]propanamido]propanamido]propanamido]-5-carbamimidamidopentanoic acid; acetic acid, BM213 acetate, BM213 醋酸盐

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-acetamido-3-phenylpropanamido]hexanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]propanamido]propanamido]propanamido]-5-carbamimidamidopentanoic acid; acetic acid

SMILES: CC(O)=O.CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI key: INYOKCACNJMMPL-CCIRLZATSA-N