Succinyl-tyrosyl-methionyl-glycyl-tryptophyl-methionyl-aspartyl-phenethylamide
[CAS# 112118-16-8]

Identification

• Name: Succinyl-tyrosyl-methionyl-glycyl-tryptophyl-methionyl-aspartyl-phenethylamide
• Synonyms: 4-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-3-Amino-1-Carboxy-3-Oxo-Propyl]-(2-Phenylethyl)Carbamoyl]-3-Methylsulfanyl-Propyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-3-Methylsulfanyl-Propyl]Amino]-2-Oxo-1-[(4-Sulfooxyphenyl)Methyl]Ethyl]Amino]-4-Oxo-Butanoic Acid; 4-[[(1S)-2-[[(1S)-1-[[[2-[[(1S)-2-[[(1S)-1-[[[(1S)-3-Amino-1-Carboxy-3-Oxopropyl]-(2-Phenylethyl)Amino]-Oxomethyl]-3-(Methylthio)Propyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-3-(Methylthio)Propyl]Amino]-2-Oxo-1-[(4-Sulfooxyphenyl)Methyl]Ethyl]Amino]-4-Oxobutanoic Acid; 4-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-3-Amino-1-Carboxy-3-Keto-Propyl]-(2-Phenylethyl)Carbamoyl]-3-(Methylthio)Propyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]-3-(Methylthio)Propyl]Amino]-2-Keto-1-(4-Sulfoxybenzyl)Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₈H₆₀N₈O₁₅S₃
• Molecular Weight: 1085.23
• CAS Registry Number: 112118-16-8
• SMILES: [C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)CC1=CC=C(O[S](=O)(=O)O)C=C1)CCSC)(CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@H](C(=O)N([C@H](C(=O)O)CC(=O)N)CCC4=CC=CC=C4)CCSC
• InChI: 1S/C48H60N8O15S3/c1-72-22-19-35(54-45(63)37(52-41(58)16-17-43(60)61)24-30-12-14-32(15-13-30)71-74(68,69)70)44(62)51-28-42(59)53-38(25-31-27-50-34-11-7-6-10-33(31)34)46(64)55-36(20-23-73-2)47(65)56(39(48(66)67)26-40(49)57)21-18-29-8-4-3-5-9-29/h3-15,27,35-39,50H,16-26,28H2,1-2H3,(H2,49,57)(H,51,62)(H,52,58)(H,53,59)(H,54,63)(H,55,64)(H,60,61)(H,66,67)(H,68,69,70)/t35-,36-,37-,38-,39-/m0/s1
• InChIKey: PUTDWXINFQVZCK-MQDBWYGVSA-N

Properties

• Density: 1.418g/cm³ (Cal.)