85-Tyrosyl-87-cysteinyl(acetamidomethyl)seminal plasma inhibin (85-94)
[CAS# 121637-29-4]

Identification

• Name: 85-Tyrosyl-87-cysteinyl(acetamidomethyl)seminal plasma inhibin (85-94)
• Synonyms: (2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(Acetamidomethylsulfanyl)-2-[[(2S,3R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Acetyl]Amino]-3-Methyl-Pentanoic Acid; (2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(Acetamidomethylthio)-2-[[(2S,3R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-3-Methylpentanoic Acid; (2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(Acetamidomethylthio)-2-[[(2S,3R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Acetyl]Amino]-3-Methyl-Valeric Acid
• Molecular Formula: C₅₄H₇₈N₁₂O₁₈S
• Molecular Weight: 1215.34
• CAS Registry Number: 121637-29-4
• SMILES: [C@H](C(=O)O)(NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)[C@@H](C)O)=O)CSCNC(=O)C)=O)CO)=O)C(C)C)=O)CO)=O)CCC(=O)O)=O)CC2=C[NH]C3=CC=CC=C23)=O)=O)[C@H](CC)C
• InChI: 1S/C54H78N12O18S/c1-7-27(4)44(54(83)84)64-41(72)21-57-47(76)37(19-31-20-56-35-11-9-8-10-33(31)35)60-48(77)36(16-17-42(73)74)59-49(78)38(22-67)62-52(81)43(26(2)3)65-50(79)39(23-68)61-51(80)40(24-85-25-58-29(6)70)63-53(82)45(28(5)69)66-46(75)34(55)18-30-12-14-32(71)15-13-30/h8-15,20,26-28,34,36-40,43-45,56,67-69,71H,7,16-19,21-25,55H2,1-6H3,(H,57,76)(H,58,70)(H,59,78)(H,60,77)(H,61,80)(H,62,81)(H,63,82)(H,64,72)(H,65,79)(H,66,75)(H,73,74)(H,83,84)/t27-,28+,34-,36-,37-,38-,39-,40-,43-,44-,45-/m0/s1
• InChIKey: PLOKPOFUMYRUII-ABPFCAAFSA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 1716.298°C at 760 mmHg (Cal.)
• Flash point: 991.781°C (Cal.)