(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
HIT218801738
sdf文件结构编辑类似物检索
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
共显示1个结果
供应商规格单价货期纯度操作
TargetMol
SC
4381-3天 购物车
TargetMol | Target Loading
正在加载 ~