(2R,4S)-2-[[(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-Octahydro-1H-Indole-2-Carbonyl]-[(2R)-4-Propoxypyrrolidine-2-Carbonyl]Amino]-4-Amino-2-[3-(Diaminomethylideneamino)Propyl]-5-Hydroxy-3-Oxopentanoic Acid
[CAS# 148383-08-8]

Identification

• Name: (2R,4S)-2-[[(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-Octahydro-1H-Indole-2-Carbonyl]-[(2R)-4-Propoxypyrrolidine-2-Carbonyl]Amino]-4-Amino-2-[3-(Diaminomethylideneamino)Propyl]-5-Hydroxy-3-Oxopentanoic Acid
• Synonyms: (2R,4S)-2-[[(2S,3As,7Ar)-2,3,3A,4,5,6,7,7A-Octahydro-1H-Indole-2-Carbonyl]-[(2R)-4-Propoxypyrrolidine-2-Carbonyl]Amino]-4-Amino-2-(3-Guanidinopropyl)-5-Hydroxy-3-Oxo-Pentanoic Acid; (2R,4S)-2-[[[(2S,3As,7Ar)-2,3,3A,4,5,6,7,7A-Octahydro-1H-Indol-2-Yl]-Oxomethyl]-[Oxo-[(2R)-4-Propoxy-2-Pyrrolidinyl]Methyl]Amino]-4-Amino-2-(3-Guanidinopropyl)-5-Hydroxy-3-Oxopentanoic Acid; (2R,4S)-2-[[(2S,3As,7Ar)-2,3,3A,4,5,6,7,7A-Octahydro-1H-Indole-2-Carbonyl]-[(2R)-4-Propoxypyrrolidine-2-Carbonyl]Amino]-4-Amino-2-(3-Guanidinopropyl)-5-Hydroxy-3-Keto-Valeric Acid
• Molecular Formula: C₂₆H₄₅N₇O₇
• Molecular Weight: 567.68
• CAS Registry Number: 148383-08-8
• SMILES: [C@@H]13[C@H](N[C@@H](C1)C(=O)N([C@](CCCN=C(N)N)(C(=O)[C@@H](N)CO)C(O)=O)C(=O)[C@@H]2NCC(OCCC)C2)CCCC3
• InChI: 1S/C26H45N7O7/c1-2-10-40-16-12-19(31-13-16)22(36)33(23(37)20-11-15-6-3-4-7-18(15)32-20)26(24(38)39,21(35)17(27)14-34)8-5-9-30-25(28)29/h15-20,31-32,34H,2-14,27H2,1H3,(H,38,39)(H4,28,29,30)/t15-,16?,17-,18+,19+,20-,26+/m0/s1
• InChIKey: AOXVGYLNAYOFJH-RCSXMCSBSA-N

Properties

• Density: 1.515g/cm³ (Cal.)
• Boiling point: 848.199°C at 760 mmHg (Cal.)
• Flash point: 466.774°C (Cal.)