(2S)-2-Amino-5-[[(2R)-2-Amino-3-[[3-(2-Aminoethyl)-4,5-Dioxo-1H-Indol-7-Yl]Sulfanyl]Propanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
[CAS# 130369-71-0]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-2-Amino-3-[[3-(2-Aminoethyl)-4,5-Dioxo-1H-Indol-7-Yl]Sulfanyl]Propanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(2R)-2-Amino-3-[[3-(2-Aminoethyl)-4,5-Dioxo-1H-Indol-7-Yl]Sulfanyl]Propanoyl]-(Carboxymethyl)Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-[[3-(2-Aminoethyl)-4,5-Dioxo-1H-Indol-7-Yl]Thio]-1-Oxopropyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-[[3-(2-Aminoethyl)-4,5-Diketo-1H-Indol-7-Yl]Thio]Propanoyl]-(Carboxymethyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₀H₂₅N₅O₈S
• Molecular Weight: 495.51
• CAS Registry Number: 130369-71-0
• SMILES: [C@H](C(N(CC(=O)O)C(CC[C@@H](C(=O)O)N)=O)=O)(N)CSC1=CC(C(C2=C1[NH]C=C2CCN)=O)=O
• InChI: 1S/C20H25N5O8S/c21-4-3-9-6-24-17-13(5-12(26)18(30)16(9)17)34-8-11(23)19(31)25(7-15(28)29)14(27)2-1-10(22)20(32)33/h5-6,10-11,24H,1-4,7-8,21-23H2,(H,28,29)(H,32,33)/t10-,11-/m0/s1
• InChIKey: VTJPYXXYZKRIQB-QWRGUYRKSA-N

Properties

• Density: 1.584g/cm³ (Cal.)
• Boiling point: 867.954°C at 760 mmHg (Cal.)
• Flash point: 478.721°C (Cal.)