(2S)-N-(2-Amino-2-Oxoethyl)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Phenylpropanoyl]Amino]-3-Hydroxypropanoyl]Amino]-3-Hydroxypropanoyl]Amino]-3-(1H-Indol-3-Yl)Propanamide
[CAS# 139602-08-7]

Identification

• Name: (2S)-N-(2-Amino-2-Oxoethyl)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Phenylpropanoyl]Amino]-3-Hydroxypropanoyl]Amino]-3-Hydroxypropanoyl]Amino]-3-(1H-Indol-3-Yl)Propanamide
• Synonyms: (2S)-N-(2-Amino-2-Oxo-Ethyl)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanamide; (2S)-N-(2-Amino-2-Oxoethyl)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-3-(1H-Indol-3-Yl)Propanamide; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Alanylamino)-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-N-(2-Amino-2-Keto-Ethyl)-3-(1H-Indol-3-Yl)Propionamide
• Molecular Formula: C₃₁H₄₀N₈O₈
• Molecular Weight: 652.71
• CAS Registry Number: 139602-08-7
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC1=CC=CC=C1)CO)CO)(CC2=C[NH]C3=CC=CC=C23)C(=O)NCC(=O)N
• InChI: 1S/C31H40N8O8/c1-17(32)27(43)36-22(11-18-7-3-2-4-8-18)29(45)38-25(16-41)31(47)39-24(15-40)30(46)37-23(28(44)35-14-26(33)42)12-19-13-34-21-10-6-5-9-20(19)21/h2-10,13,17,22-25,34,40-41H,11-12,14-16,32H2,1H3,(H2,33,42)(H,35,44)(H,36,43)(H,37,46)(H,38,45)(H,39,47)/t17-,22-,23-,24-,25-/m0/s1
• InChIKey: YQZDDGVNOHGBSM-QAMDWANKSA-N
• Protein Sequence: H-Ala-Phe-Ser-Ser-Trp-Gly-NH2

Properties

• Density: 1.377g/cm³ (Cal.)
• Boiling point: 1253.272°C at 760 mmHg (Cal.)
• Flash point: 711.753°C (Cal.)