5-Oxo-L-Prolyl-L-Leucyl-L-Asparaginyl-L-Tyrosyl-L-Seryl-L-Prolyl-L-alpha-Aspartyl-L-Tryptophanamide
[CAS# 134599-16-9]

Identification

• Name: 5-Oxo-L-Prolyl-L-Leucyl-L-Asparaginyl-L-Tyrosyl-L-Seryl-L-Prolyl-L-alpha-Aspartyl-L-Tryptophanamide
• Synonyms: (3S)-4-[[(1S)-2-Amino-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-3-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-4-Methyl-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanoyl]Amino]-4-Oxo-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[[(1S)-2-Amino-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-3-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-4-Methyl-1-Oxo-2-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Pentyl]Amino]-1,4-Dioxobutyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(1S)-2-Amino-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-3-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-Amino-4-Keto-2-[[(2S)-4-Methyl-2-(Pyroglutamoylamino)Pentanoyl]Amino]Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₇H₆₁N₁₁O₁₄
• Molecular Weight: 1004.06
• CAS Registry Number: 134599-16-9
• 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)CC(C)C)CC(=O)N)CC2=CC=C(O)C=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)O
• InChI: 1S/C47H61N11O14/c1-23(2)16-31(53-41(66)29-13-14-38(62)51-29)42(67)55-33(19-37(48)61)44(69)54-32(17-24-9-11-26(60)12-10-24)43(68)57-35(22-59)47(72)58-15-5-8-36(58)46(71)56-34(20-39(63)64)45(70)52-30(40(49)65)18-25-21-50-28-7-4-3-6-27(25)28/h3-4,6-7,9-12,21,23,29-36,50,59-60H,5,8,13-20,22H2,1-2H3,(H2,48,61)(H2,49,65)(H,51,62)(H,52,70)(H,53,66)(H,54,69)(H,55,67)(H,56,71)(H,57,68)(H,63,64)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
• InChIKey: HLCQDPIFDXVYDA-VTGDPKQBSA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 1610.834°C at 760 mmHg (Cal.)
• Flash point: 927.999°C (Cal.)