3-Mercaptopropionyl-beta-3-Pyridyl-D-Ala-Phe-Gln-Asn-Cys-Pro-Arg-Gly-Nh2
[CAS# 136105-89-0]

Identification

• Name: 3-Mercaptopropionyl-beta-3-Pyridyl-D-Ala-Phe-Gln-Asn-Cys-Pro-Arg-Gly-Nh2
• Synonyms: 1-[7-(2-Amino-2-Oxo-Ethyl)-10-(3-Amino-3-Oxo-Propyl)-6,9,12,15,18-Pentaoxo-13-(Phenylmethyl)-16-(3-Pyridylmethyl)1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]-N-[1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]-4-Guanidino-Butyl]Pyrrolidine-2-Carboxamide; N-[1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-4-Guanidinobutyl]-1-[[7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-6,9,12,15,18-Pentaoxo-13-(Phenylmethyl)-16-(3-Pyridylmethyl)-1,2-Dithia-5,8,11,14,17-Pentazacycloicos-4-Yl]-Oxomethyl]-2-Pyrrolidinecarboxamide; 1-[7-(2-Amino-2-Keto-Ethyl)-10-(3-Amino-3-Keto-Propyl)-13-(Benzyl)-6,9,12,15,18-Pentaketo-16-(3-Pyridylmethyl)1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]-N-[1-[(2-Amino-2-Keto-Ethyl)Carbamoyl]-4-Guanidino-Butyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₄₅H₆₃N₁₅O₁₁S₂
• Molecular Weight: 1054.21
• CAS Registry Number: 136105-89-0
• SMILES: C4=C(CC1NC(=O)C(NC(=O)CCSSCC(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)N)CC(=O)N)C(=O)N2C(CCC2)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC3=CN=CC=C3)C=CC=C4
• InChI: 1S/C45H63N15O11S2/c46-34(61)13-12-28-39(66)58-31(21-35(47)62)42(69)59-32(44(71)60-17-6-11-33(60)43(70)56-27(10-5-16-52-45(49)50)38(65)53-23-36(48)63)24-73-72-18-14-37(64)54-29(20-26-9-4-15-51-22-26)40(67)57-30(41(68)55-28)19-25-7-2-1-3-8-25/h1-4,7-9,15,22,27-33H,5-6,10-14,16-21,23-24H2,(H2,46,61)(H2,47,62)(H2,48,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,49,50,52)
• InChIKey: KEAHYTRPVNOHKL-UHFFFAOYSA-N

Properties

• Density: 1.561g/cm³ (Cal.)