HIT ID: HIT217584604
Cas No: T81148
分子式: C41H71N11O14
分子量: 942.082
常用名: Smac-based peptide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]propanamido]-4-carbamoylbutanamido]hexanamido]-3-hydroxypropanamido]pentanedioic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]propanamido]-4-carbamoylbutanamido]hexanamido]-3-hydroxypropanamido]pentanedioic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI key: KOTUIJBXPGUBTH-GDVWXNPYSA-N
