Tyrosyl-prolyl-phenylalanyl-phenylalanyl-phenylalanyl-tryptophyl-methioninamide
[CAS# 140716-14-9]

Identification

• Name: Tyrosyl-prolyl-phenylalanyl-phenylalanyl-phenylalanyl-tryptophyl-methioninamide
• Synonyms: (2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]-N-[(1R)-2-[[(1S)-2-[[(1R)-2-[[(1R)-2-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Pyrrolidine-2-Carboxamide; (2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]-N-[(1R)-2-[[(1S)-2-[[(1R)-2-[[(1R)-2-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2-Pyrrolidinecarboxamide; (2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]-N-[(1R)-1-(Benzyl)-2-[[(1S)-1-(Benzyl)-2-[[(1R)-1-(Benzyl)-2-[[(1R)-2-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₅₇H₆₅N₉O₈S
• Molecular Weight: 1036.26
• CAS Registry Number: 140716-14-9
• SMILES: [C@H](C(=O)N[C@H](C(N)=O)CCSC)(CC1=C[NH]C2=C1C=CC=C2)NC([C@H](NC(=O)[C@@H](NC([C@@H](CC3=CC=CC=C3)NC(=O)[C@H]4N(CCC4)C(=O)[C@H](CC5=CC=C(C=C5)O)N)=O)CC6=CC=CC=C6)CC7=CC=CC=C7)=O
• InChI: 1S/C57H65N9O8S/c1-75-29-27-45(51(59)68)61-55(72)49(34-40-35-60-44-21-12-11-20-42(40)44)64-53(70)47(32-37-16-7-3-8-17-37)62-52(69)46(31-36-14-5-2-6-15-36)63-54(71)48(33-38-18-9-4-10-19-38)65-56(73)50-22-13-28-66(50)57(74)43(58)30-39-23-25-41(67)26-24-39/h2-12,14-21,23-26,35,43,45-50,60,67H,13,22,27-34,58H2,1H3,(H2,59,68)(H,61,72)(H,62,69)(H,63,71)(H,64,70)(H,65,73)/t43-,45-,46-,47+,48+,49+,50-/m0/s1
• InChIKey: VOMQYBALZJIZLK-URSBCDAASA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 1410.311°C at 760 mmHg (Cal.)
• Flash point: 806.727°C (Cal.)