HIT ID: HIT212710187
Cas No: 154447-41-3
分子式: C29H48N12O11S2
分子量: 804.9
常用名: L 366763
氢键受体数 (HBA): 14
氢键供体数 (HBD): 14
LogP: -9.6316185
IUPAC: (3S)-3-{2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-3-carbamoyl-2-[(2R)-2-acetamido-3-sulfanylpropanamido]propanoyl]pyrrolidin-2-yl]formamido}pentanamido]acetamido}-3-{[(1R)-1-carbamoyl-2-sulfanylethyl]carbamoyl}propanoic acid
IUPAC: (3S)-3-{2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-3-carbamoyl-2-[(2R)-2-acetamido-3-sulfanylpropanamido]propanoyl]pyrrolidin-2-yl]formamido}pentanamido]acetamido}-3-{[(1R)-1-carbamoyl-2-sulfanylethyl]carbamoyl}propanoic acid
SMILES: CC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(N)=O
SMILES: CC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(N)=O
InChI key: PXQMYFXMGZFGFB-DYKIIFRCSA-N
