Phenylalanyl-cysteinyl-tyrosyl-tryptophyl-lysyl-threonyl-cysteinyl-N-naphthylalanine amide
[CAS# 138248-87-0]

Identification

• Name: Phenylalanyl-cysteinyl-tyrosyl-tryptophyl-lysyl-threonyl-cysteinyl-N-naphthylalanine amide
• Synonyms: (2S)-6-Amino-N-[(1S,2R)-1-[[(1R)-2-[[(2S)-2-Amino-3-(2-Naphthyl)Propanoyl]Amino]-2-Oxo-1-(Sulfanylmethyl)Ethyl]Carbamoyl]-2-Hydroxy-Propyl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-Amino-3-Phenyl-Propanoyl]Amino]-3-Sulfanyl-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanamide; (2S)-6-Amino-N-[(1S,2R)-1-[[[(1R)-2-[[(2S)-2-Amino-3-(2-Naphthyl)-1-Oxopropyl]Amino]-1-(Mercaptomethyl)-2-Oxoethyl]Amino]-Oxomethyl]-2-Hydroxypropyl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]-3-Mercapto-1-Oxopropyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]Hexanamide; (2S)-6-Amino-N-[(1S,2R)-1-[[(1R)-2-[[(2S)-2-Amino-3-(2-Naphthyl)Propanoyl]Amino]-2-Keto-1-(Mercaptomethyl)Ethyl]Carbamoyl]-2-Hydroxy-Propyl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-Amino-3-Phenyl-Propanoyl]Amino]-3-Mercapto-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanamide
• Molecular Formula: C₅₈H₇₁N₁₁O₁₀S₂
• Molecular Weight: 1146.39
• CAS Registry Number: 138248-87-0
• SMILES: [C@H](C(=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@H](N)CC1=CC=CC=C1)=O)CS)=O)CC2=CC=C(O)C=C2)=O)CC3=C[NH]C4=CC=CC=C34)=O)CCCCN)=O)[C@@H](C)O)=O)CS)=O)(N)CC6=CC=C5C=CC=CC5=C6
• InChI: 1S/C58H71N11O10S2/c1-33(70)50(58(79)67-49(32-81)57(78)69-52(73)43(61)27-36-18-21-37-13-5-6-14-38(37)25-36)68-53(74)45(17-9-10-24-59)63-55(76)47(29-39-30-62-44-16-8-7-15-41(39)44)65-54(75)46(28-35-19-22-40(71)23-20-35)64-56(77)48(31-80)66-51(72)42(60)26-34-11-3-2-4-12-34/h2-8,11-16,18-23,25,30,33,42-43,45-50,62,70-71,80-81H,9-10,17,24,26-29,31-32,59-61H2,1H3,(H,63,76)(H,64,77)(H,65,75)(H,66,72)(H,67,79)(H,68,74)(H,69,73,78)/t33-,42-,43+,45+,46+,47-,48+,49+,50+/m1/s1
• InChIKey: ZATHVQJWEVRQPD-DMUMTTGNSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 1490.62°C at 760 mmHg (Cal.)
• Flash point: 855.296°C (Cal.)