HIT ID: HIT214324125
Cas No: 865778-47-8
分子式: C66H94N16O22
分子量: 1463.568
常用名: Syk Kinase Peptide Substrate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}-4-[(2S)-2-[(2S)-3-carboxy-2-{[(2S)-1-[(2S)-3-carboxy-2-[(2S)-4-carboxy-2-[(2S)-2,6-diaminohexanamido]butanamido]propanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-(4-hydroxyphenyl)propanamido]butanoic acid
IUPAC: (4S)-4-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}-4-[(2S)-2-[(2S)-3-carboxy-2-{[(2S)-1-[(2S)-3-carboxy-2-[(2S)-4-carboxy-2-[(2S)-2,6-diaminohexanamido]butanamido]propanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-(4-hydroxyphenyl)propanamido]butanoic acid
SMILES: C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O
SMILES: C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O
InChI key: MBTRRAYTEDSFOH-XSRKEJNYSA-N
