Tert-Butyl N-[(2S)-1-[[(2S)-2-[[(3R)-1-[(2S)-1-Amino-1-Oxo-3-Phenylpropan-2-Yl]-5-Oxopyrrolidin-3-Yl]Amino]-6-[(2-Methylphenyl)Carbamoylamino]Hexanoyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Carbamate
[CAS# 157973-91-6]

Identification

• Name: Tert-Butyl N-[(2S)-1-[[(2S)-2-[[(3R)-1-[(2S)-1-Amino-1-Oxo-3-Phenylpropan-2-Yl]-5-Oxopyrrolidin-3-Yl]Amino]-6-[(2-Methylphenyl)Carbamoylamino]Hexanoyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Carbamate
• Synonyms: Tert-Butyl N-[(1S)-2-[[(2S)-2-[[(3R)-1-[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]-5-Oxo-Pyrrolidin-3-Yl]Amino]-6-[(2-Methylphenyl)Carbamoylamino]Hexanoyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Carbamate; N-[(1S)-2-[[(2S)-2-[[(3R)-1-[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]-5-Oxo-3-Pyrrolidinyl]Amino]-6-[[[(2-Methylphenyl)Amino]-Oxomethyl]Amino]-1-Oxohexyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Carbamic Acid Tert-Butyl Ester; N-[(1S)-2-[[(2S)-2-[[(3R)-1-[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]-5-Keto-Pyrrolidin-3-Yl]Amino]-6-[(2-Methylphenyl)Carbamoylamino]Hexanoyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Carbamic Acid Tert-Butyl Ester
• Molecular Formula: C₄₃H₅₄N₈O₇
• Molecular Weight: 794.95
• CAS Registry Number: 157973-91-6
• SMILES: [C@H](C(=O)NC([C@@H](NC(=O)OC(C)(C)C)CC1=C[NH]C2=CC=CC=C12)=O)(N[C@H]3CN(C(C3)=O)[C@H](C(=O)N)CC4=CC=CC=C4)CCCCNC(=O)NC5=CC=CC=C5C
• InChI: 1S/C43H54N8O7/c1-27-14-8-10-18-32(27)48-41(56)45-21-13-12-20-34(47-30-24-37(52)51(26-30)36(38(44)53)22-28-15-6-5-7-16-28)39(54)50-40(55)35(49-42(57)58-43(2,3)4)23-29-25-46-33-19-11-9-17-31(29)33/h5-11,14-19,25,30,34-36,46-47H,12-13,20-24,26H2,1-4H3,(H2,44,53)(H,49,57)(H2,45,48,56)(H,50,54,55)/t30-,34+,35+,36+/m1/s1
• InChIKey: HRNMANYNLBIEDG-WJERKRFCSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 1033.136°C at 760 mmHg (Cal.)
• Flash point: 578.62°C (Cal.)