Methionyl-asparaginyl-tyrosyl-leucyl-alanyl-phenylalanyl-prolyl-arginyl-methioninamide
[CAS# 84746-43-0]

Identification

• Name: Methionyl-asparaginyl-tyrosyl-leucyl-alanyl-phenylalanyl-prolyl-arginyl-methioninamide
• Synonyms: (2S)-2-[[(2S)-2-Amino-4-Methylsulfanyl-Butanoyl]Amino]-N-[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Butanediamide; (2S)-2-[[(2S)-2-Amino-4-(Methylthio)-1-Oxobutyl]Amino]-N-[(1S)-2-[[(1S)-1-[[[(1S)-2-[[(1S)-2-[(2S)-2-[[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Butanediamide; (2S)-2-[[(2S)-2-Amino-4-(Methylthio)Butanoyl]Amino]-N-[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-(Benzyl)-2-[(2S)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Succinamide
• Molecular Formula: C₅₂H₈₀N₁₄O₁₁S₂
• Molecular Weight: 1141.41
• CAS Registry Number: 84746-43-0
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)CC(=O)N)CC2=CC=C(O)C=C2)CC(C)C)C)CC3=CC=CC=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N
• InChI: 1S/C52H80N14O11S2/c1-29(2)25-37(63-48(74)38(26-32-15-17-33(67)18-16-32)64-49(75)39(28-42(54)68)62-45(71)34(53)19-23-78-4)47(73)59-30(3)44(70)65-40(27-31-11-7-6-8-12-31)51(77)66-22-10-14-41(66)50(76)61-36(13-9-21-58-52(56)57)46(72)60-35(43(55)69)20-24-79-5/h6-8,11-12,15-18,29-30,34-41,67H,9-10,13-14,19-28,53H2,1-5H3,(H2,54,68)(H2,55,69)(H,59,73)(H,60,72)(H,61,76)(H,62,71)(H,63,74)(H,64,75)(H,65,70)(H4,56,57,58)/t30-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
• InChIKey: IDATZUYVZKJKRE-SXMXEBDWSA-N

Properties

• Density: 1.415g/cm³ (Cal.)