HIT ID: HIT213840166
Cas No: TP1787L;3026596-46-0
分子式: C37H71N17O13
分子量: 962.081
常用名: PKG Substrate acetate(81187-14-6 free base)
常用名: PKG Substrate acetate(81187-14-6 free base)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]propanamido]pentanedioic acid; acetic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]propanamido]pentanedioic acid; acetic acid
SMILES: CC(O)=O.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
SMILES: CC(O)=O.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI key: NLTBVIYRJKNSMC-OKCUDLQVSA-N
