Cyclo(D-alanyl-L-isoleucyl-2-aminobenzoyl-L-prolyl-N-methyl-D-phenylalanyl)
[CAS# 110297-47-7]

Identification

• Name: Cyclo(D-alanyl-L-isoleucyl-2-aminobenzoyl-L-prolyl-N-methyl-D-phenylalanyl)
• Synonyms: (2S)-N-[(1R,4S,5S)-1-(2-Aminobenzoyl)-4-[[(2R)-2-Aminopropanoyl]Amino]-1-Formyl-5-Methyl-3-Oxo-2-Phenyl-Hept-6-Enyl]-N-Methyl-Pyrrolidine-2-Carboxamide; (2S)-N-[(1R,4S,5S)-4-[[(2R)-2-Amino-1-Oxopropyl]Amino]-1-[(2-Aminophenyl)-Oxomethyl]-1-Formyl-5-Methyl-3-Oxo-2-Phenylhept-6-Enyl]-N-Methyl-2-Pyrrolidinecarboxamide; (2S)-N-[(1R,4S,5S)-4-(Alanylamino)-1-(2-Aminobenzoyl)-1-Formyl-3-Keto-5-Methyl-2-Phenyl-Hept-6-Enyl]-N-Methyl-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₃₁H₃₉N₅O₅
• Molecular Weight: 561.68
• CAS Registry Number: 110297-47-7
• SMILES: [C@@](N(C(=O)[C@H]1NCCC1)C)(C(C(=O)[C@@H](NC(=O)[C@H](N)C)[C@H](C=C)C)C2=CC=CC=C2)(C(=O)C3=CC=CC=C3N)C=O
• InChI: 1S/C31H39N5O5/c1-5-19(2)26(35-29(40)20(3)32)27(38)25(21-12-7-6-8-13-21)31(18-37,28(39)22-14-9-10-15-23(22)33)36(4)30(41)24-16-11-17-34-24/h5-10,12-15,18-20,24-26,34H,1,11,16-17,32-33H2,2-4H3,(H,35,40)/t19-,20+,24-,25?,26-,31-/m0/s1
• InChIKey: RRKPZYIKFBDXNY-KLYJBUPTSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 821.371°C at 760 mmHg (Cal.)
• Flash point: 450.549°C (Cal.)