HIT ID: HIT218851619
Cas No: 35263-73-1
分子式: C55H74N16O14
分子量: 1183.295
常用名: LHRH
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{[(2S)-1-[(2S)-5-carbamimidamido-2-[(2S)-2-{2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-5-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-4-methylpentanamido]pentanoyl]pyrrolidin-2-yl]formamido}acetic acid
IUPAC: 2-{[(2S)-1-[(2S)-5-carbamimidamido-2-[(2S)-2-{2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-5-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-4-methylpentanamido]pentanoyl]pyrrolidin-2-yl]formamido}acetic acid
SMILES: CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O
SMILES: CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O
InChI key: IGACZQNUZMBGFX-AQJXLSMYSA-N
