(4S)-5-Amino-4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Hydroxybutanoyl]Amino]-5-Oxopentanoic Acid
[CAS# 103930-65-0]

Identification

• Name: (4S)-5-Amino-4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Hydroxybutanoyl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4S)-5-Amino-4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-5-Amino-4-[[(2S,3R)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-5-Oxopentanoic Acid; (4S)-5-Amino-4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₃₄H₄₃N₇O₉
• Molecular Weight: 693.76
• CAS Registry Number: 103930-65-0
• SMILES: [C@@H](N)(C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC(=O)O)[C@H](O)C)CC1=C[NH]C2=C1C=CC=C2)CCC3)CC4=CC=C(C=C4)O
• InChI: 1S/C34H43N7O9/c1-18(42)29(33(49)38-25(30(36)46)12-13-28(44)45)40-31(47)26(16-20-17-37-24-6-3-2-5-22(20)24)39-32(48)27-7-4-14-41(27)34(50)23(35)15-19-8-10-21(43)11-9-19/h2-3,5-6,8-11,17-18,23,25-27,29,37,42-43H,4,7,12-16,35H2,1H3,(H2,36,46)(H,38,49)(H,39,48)(H,40,47)(H,44,45)/t18-,23+,25+,26+,27+,29+/m1/s1
• InChIKey: BBCFBYGABSQIKP-OOTSGESESA-N

Properties

• Density: 1.411g/cm³ (Cal.)
• Boiling point: 1220.175°C at 760 mmHg (Cal.)
• Flash point: 691.737°C (Cal.)