N-[2-[[(2S)-1-Amino-3-(1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Amino]-2-Oxoethyl]-1-[(2S)-2-Aminopropanoyl]Pyrrolidine-2-Carboxamide
[CAS# 126675-52-3]

Identification

• Name: N-[2-[[(2S)-1-Amino-3-(1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Amino]-2-Oxoethyl]-1-[(2S)-2-Aminopropanoyl]Pyrrolidine-2-Carboxamide
• Synonyms: N-[2-[[(1S)-2-Amino-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]-1-[(2S)-2-Aminopropanoyl]Pyrrolidine-2-Carboxamide; N-[2-[[(1S)-2-Amino-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-2-Oxoethyl]-1-[(2S)-2-Amino-1-Oxopropyl]-2-Pyrrolidinecarboxamide; 1-Alanyl-N-[2-[[(1S)-2-Amino-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₂₁H₂₈N₆O₄
• Molecular Weight: 428.49
• CAS Registry Number: 126675-52-3
• SMILES: [C@@H](C(=O)N)(CC1=C[NH]C2=CC=CC=C12)NC(=O)CNC(C3N(C(=O)[C@@H](N)C)CCC3)=O
• InChI: 1S/C21H28N6O4/c1-12(22)21(31)27-8-4-7-17(27)20(30)25-11-18(28)26-16(19(23)29)9-13-10-24-15-6-3-2-5-14(13)15/h2-3,5-6,10,12,16-17,24H,4,7-9,11,22H2,1H3,(H2,23,29)(H,25,30)(H,26,28)/t12-,16-,17?/m0/s1
• InChIKey: UIBASYXNWHWBOR-UBZWXBNLSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 900.367°C at 760 mmHg (Cal.)
• Flash point: 498.324°C (Cal.)