HIT ID: HIT212718950
Cas No: 140653-60-7
分子式: C44H71N11O12S2
分子量: 1010.24
常用名: Sperm-activating peptide 1
氢键受体数 (HBA): 15
氢键供体数 (HBD): 14
LogP: -7.8497224
IUPAC: (4S)-4-[({[(1S)-5-amino-1-{[(1R)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-4-{[(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-phenylpropanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}butanoic acid
IUPAC: (4S)-4-[({[(1S)-5-amino-1-{[(1R)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-4-{[(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-phenylpropanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}butanoic acid
SMILES: CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(O)=O
SMILES: CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(O)=O
InChI key: YNYRLZIGGZQIRW-GVCDGELBSA-N
