HIT ID: HIT213840237
Cas No: TP1852L
分子式: C38H71N11O10S2
分子量: 906.17
常用名: Myomodulin acetate(110570-93-9 free base)
常用名: Myomodulin acetate(110570-93-9 free base)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-4-(methylsulfanyl)-2-{[(2S)-pyrrolidin-2-yl]formamido}butanamido]propanamido]-4-(methylsulfanyl)butanamido]-4-methylpentanamido]pentanamido]-4-methylpentanamide; acetic acid
IUPAC: (2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-4-(methylsulfanyl)-2-{[(2S)-pyrrolidin-2-yl]formamido}butanamido]propanamido]-4-(methylsulfanyl)butanamido]-4-methylpentanamido]pentanamido]-4-methylpentanamide; acetic acid
SMILES: CC(O)=O.CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
SMILES: CC(O)=O.CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
InChI key: PYQLBTQNMOFCSJ-UZTLYUDCSA-N
