(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]hexanamide

• ChemBase编号: 127616
• 分子式: C46H56N12O6
• 平均质量: 873.01364
• 单一同位素质量: 872.44457757
• SMILES: C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)N
• Canonical SMILES: NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)N)C
• InChI: InChI=1S/C46H56N12O6/c1-27(54-44(62)39(20-29-23-51-35-15-7-5-13-32(29)35)57-43(61)34(48)22-31-25-50-26-53-31)42(60)56-40(21-30-24-52-36-16-8-6-14-33(30)36)46(64)58-38(19-28-11-3-2-4-12-28)45(63)55-37(41(49)59)17-9-10-18-47/h2-8,11-16,23-27,34,37-40,51-52H,9-10,17-22,47-48H2,1H3,(H2,49,59)(H,50,53)(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,64)/t27-,34-,37-,38-,39+,40-/m0/s1
• InChIKey: WZHKXNSOCOQYQX-KAGZITNASA-N

名称和登记号

名称

• IUPAC标准名: (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]hexanamide
• IUPAC传统名: (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(3H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]hexanamide
• 别名: GHRP-6; Growth hormone releasing hexapeptide

登记号

• CAS号: 87616-84-0
• PubChem SID: 162221934
• PubChem CID: 71308213; 5486806
• Chemspider ID: 26333269
• 医学主题词(MeSH): Growth+hormone+releasing+hexapeptide
• 维基百科标题: Growth_hormone_releasing_hexapeptide

理论计算性质

• Acid pKa: 11.772869
• 质子受体: 9
• 质子供体: 11
• LogD (pH = 5.5): -5.38291
• LogD (pH = 7.4): -2.9301493
• Log P: 0.1955095
• 摩尔折射率: 239.7104 cm^3
• 极化性: 95.30395 Å^3
• 极化表面积: 300.89 Å^2
• 可自由旋转的化学键: 23
• 里宾斯基五规则: false