HIT ID: HIT218850908
Cas No: 72093-22-2
分子式: C73H126N20O15S
分子量: 1556
常用名: Mastoparan X
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-N-[(1S)-1-{[(1S)-5-amino-1-[({[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-[(2S,3S)-2-amino-3-methylpentanamido]butanediamide
IUPAC: (2S)-N-[(1S)-1-{[(1S)-5-amino-1-[({[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-[(2S,3S)-2-amino-3-methylpentanamido]butanediamide
SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
InChI key: FYJKBFOGJAVCAL-MRBAVNCWSA-N
