Tert-Butyl N-[(2S)-2-Amino-3-[[2-[[(2S)-1-[(2R)-2-Formyl-2,5-Dihydropyrrol-1-Yl]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-2-Oxoethyl]Amino]-3-Oxopropyl]Carbamate
[CAS# 77100-18-6]

Identification

• Name: Tert-Butyl N-[(2S)-2-Amino-3-[[2-[[(2S)-1-[(2R)-2-Formyl-2,5-Dihydropyrrol-1-Yl]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-2-Oxoethyl]Amino]-3-Oxopropyl]Carbamate
• Synonyms: Tert-Butyl N-[(2S)-2-Amino-3-[[2-[[(1S)-2-[(2R)-2-Formyl-2,5-Dihydropyrrol-1-Yl]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-Ethyl]Amino]-3-Oxo-Propyl]Carbamate; N-[(2S)-2-Amino-3-[[2-[[(1S)-2-[(2R)-2-Formyl-2,5-Dihydropyrrol-1-Yl]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxoethyl]Amino]-3-Oxopropyl]Carbamic Acid Tert-Butyl Ester; N-[(2S)-2-Amino-3-[[2-[[(1S)-1-(Benzyl)-2-[(2R)-2-Formyl-3-Pyrrolin-1-Yl]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-3-Keto-Propyl]Carbamic Acid Tert-Butyl Ester
• Molecular Formula: C₂₄H₃₃N₅O₆
• Molecular Weight: 487.55
• CAS Registry Number: 77100-18-6
• SMILES: [C@@H]1(C=O)N(CC=C1)C([C@@H](NC(CNC([C@@H](N)CNC(=O)OC(C)(C)C)=O)=O)CC2=CC=CC=C2)=O
• InChI: 1S/C24H33N5O6/c1-24(2,3)35-23(34)27-13-18(25)21(32)26-14-20(31)28-19(12-16-8-5-4-6-9-16)22(33)29-11-7-10-17(29)15-30/h4-10,15,17-19H,11-14,25H2,1-3H3,(H,26,32)(H,27,34)(H,28,31)/t17-,18+,19+/m1/s1
• InChIKey: MDDCQSFGANLIMM-QYZOEREBSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 815.358°C at 760 mmHg (Cal.)
• Flash point: 446.913°C (Cal.)