HIT ID: HIT218847811
Cas No: 868844-53-5
分子式: C38H62N10O12
分子量: 850.972
常用名: d-(RYTVELA)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4R)-4-[(2R)-2-[(2R,3S)-2-[(2R)-2-[(2R)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-methylbutanamido]-4-{[(1R)-1-{[(1R)-1-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
IUPAC: (4R)-4-[(2R)-2-[(2R,3S)-2-[(2R)-2-[(2R)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-methylbutanamido]-4-{[(1R)-1-{[(1R)-1-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
SMILES: CC(C)C[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCNC(N)=N)[C@H](C)O)C(C)C)C(=O)N[C@H](C)C(O)=O
SMILES: CC(C)C[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCNC(N)=N)[C@H](C)O)C(C)C)C(=O)N[C@H](C)C(O)=O
InChI key: SUNCJLJFTXNIMH-MUDRSRMHSA-N
