Glutamyl-Valyl-Asparaginyl-Phenylalanyl-Seryl-Prolyl-Asparaginyl-Tryptophanamide
[CAS# 93208-51-6]

Identification

• Name: Glutamyl-Valyl-Asparaginyl-Phenylalanyl-Seryl-Prolyl-Asparaginyl-Tryptophanamide
• Synonyms: (2S)-N-[(1S)-2-Amino-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-3-Methyl-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Butanoyl]Amino]-4-Oxo-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidi
• Molecular Formula: C₄₆H₆₀N₁₂O₁₂
• Molecular Weight: 973.05
• CAS Registry Number: 93208-51-6
• SMILES: [C@@H]3(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)C(C)C)CC(=O)N)CC2=CC=CC=C2)CO)CCC3)C(=O)N[C@H](C(=O)N[C@@H](CC4=C[NH]C5=C4C=CC=C5)C(=O)N)CC(=O)N
• InChI: 1S/C46H60N12O12/c1-23(2)38(57-40(64)28-14-15-37(62)51-28)45(69)55-32(20-36(48)61)43(67)53-30(17-24-9-4-3-5-10-24)41(65)56-33(22-59)46(70)58-16-8-13-34(58)44(68)54-31(19-35(47)60)42(66)52-29(39(49)63)18-25-21-50-27-12-7-6-11-26(25)27/h3-7,9-12,21,23,28-34,
• InChIKey: KPWMFAZVGQWJCD-DWIHLTNRSA-N

Properties

• Density: 1.388g/cm³ (Cal.)
• Boiling point: 1602.555°C at 760 mmHg (Cal.)
• Flash point: 922.992°C (Cal.)