4-[[2-[(2S)-2-[[(2S)-4-Methyl-1-[[2-[(2S)-2-[(4-Methyl-2-Oxochromen-7-Yl)Carbamoyl]Pyrrolidin-1-Yl]-2-Oxoethyl]Amino]-1-Oxopentan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-2-Oxoethyl]Amino]-4-Oxobutanoic Acid
[CAS# 72698-36-3]

Identification

• Name: 4-[[2-[(2S)-2-[[(2S)-4-Methyl-1-[[2-[(2S)-2-[(4-Methyl-2-Oxochromen-7-Yl)Carbamoyl]Pyrrolidin-1-Yl]-2-Oxoethyl]Amino]-1-Oxopentan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-2-Oxoethyl]Amino]-4-Oxobutanoic Acid
• Synonyms: 4-[[2-[(2S)-2-[[(1S)-3-Methyl-1-[[2-[(2S)-2-[(4-Methyl-2-Oxo-Chromen-7-Yl)Carbamoyl]Pyrrolidin-1-Yl]-2-Oxo-Ethyl]Carbamoyl]Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; 4-[[2-[(2S)-2-[[[(1S)-3-Methyl-1-[[[2-[(2S)-2-[[(4-Methyl-2-Oxo-7-Chromenyl)Amino]-Oxomethyl]-1-Pyrrolidinyl]-2-Oxoethyl]Amino]-Oxomethyl]Butyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; 4-Keto-4-[[2-Keto-2-[(2S)-2-[[(1S)-1-[[2-Keto-2-[(2S)-2-[(2-Keto-4-Methyl-Chromen-7-Yl)Carbamoyl]Pyrrolidin-1-Yl]Ethyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]Pyrrolidin-1-Yl]Ethyl]Amino]Butyric Acid
• Molecular Formula: C₃₄H₄₄N₆O₁₀
• Molecular Weight: 696.76
• CAS Registry Number: 72698-36-3
• EINECS: 276-767-2
• SMILES: [C@H]1(CCCN1C(CNC(CCC(O)=O)=O)=O)C(N[C@H](C(NCC(=O)N2[C@@H](CCC2)C(=O)NC3=CC=C4C(=C3)OC(C=C4C)=O)=O)CC(C)C)=O
• InChI: 1S/C34H44N6O10/c1-19(2)14-23(38-34(49)25-7-5-13-40(25)28(42)17-35-27(41)10-11-30(44)45)32(47)36-18-29(43)39-12-4-6-24(39)33(48)37-21-8-9-22-20(3)15-31(46)50-26(22)16-21/h8-9,15-16,19,23-25H,4-7,10-14,17-18H2,1-3H3,(H,35,41)(H,36,47)(H,37,48)(H,38,49)(H,44,45)/t23-,24-,25-/m0/s1
• InChIKey: RPHBOWQMQBFJME-SDHOMARFSA-N
• Protein Sequence: Suc-Gly-Pro-Leu-Gly-Pro-AMC

Properties

• Density: 1.357g/cm³ (Cal.)
• Boiling point: 1127.474°C at 760 mmHg (Cal.)
• Flash point: 635.673°C (Cal.)