HIT ID: HIT212719002
Cas No: 158379-16-9
分子式: C61H96N16O19S
分子量: 1389.59
常用名: PHYD protein, Arabidopsis
氢键受体数 (HBA): 24
氢键供体数 (HBD): 20
LogP: -9.176912
IUPAC: (4S)-4-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylpentanamido]-4-carboxybutanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid
IUPAC: (4S)-4-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylpentanamido]-4-carboxybutanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)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(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)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(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O
InChI key: UUADODNGTPCSBC-HXBUARKNSA-N