Boc-Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2
[CAS# 25687-34-7]

Identification

• Name: Boc-Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2
• Synonyms: (3S)-4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-4-Hydroxy-4-Oxo-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-1-Oxoethyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-4-Hydroxy-4-Keto-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₅₄H₇₀N₁₀O₁₅S₂
• Molecular Weight: 1163.33
• CAS Registry Number: 25687-34-7
• SMILES: [C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(OC(C)(C)C)=O)CC(=O)O)CC1=CC=C(O)C=C1)CCSC)(CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)CC(=O)O)CCSC
• InChI: 1S/C54H70N10O15S2/c1-54(2,3)79-53(78)64-42(27-45(69)70)52(77)62-39(24-31-15-17-33(65)18-16-31)49(74)59-36(19-21-80-4)47(72)57-29-43(66)58-40(25-32-28-56-35-14-10-9-13-34(32)35)50(75)60-37(20-22-81-5)48(73)63-41(26-44(67)68)51(76)61-38(46(55)71)23-30-11-7-6-8-12-30/h6-18,28,36-42,56,65H,19-27,29H2,1-5H3,(H2,55,71)(H,57,72)(H,58,66)(H,59,74)(H,60,75)(H,61,76)(H,62,77)(H,63,73)(H,64,78)(H,67,68)(H,69,70)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
• InChIKey: WHQYTLSEJRKUQZ-FVMQRRFMSA-N