HIT ID: HIT218850949
Cas No: 61627-67-6
分子式: C54H74N14O15
分子量: 1159.269
常用名: Adipokinetic hormone I (Locusta migratoria)
常用名: Adipokinetic hormone I (Locusta migratoria)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-4-methyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}pentanamido]propanamido]-3-phenylpropanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-[({[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}methyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]butanediamide
IUPAC: (2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-4-methyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}pentanamido]propanamido]-3-phenylpropanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-[({[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}methyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]butanediamide
SMILES: CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(N)=O
SMILES: CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(N)=O
InChI key: CBCYLWRKHYMJDA-KGFCHOLISA-N
