N-[6-(2-Amino-1-Hydroxy-2-Oxoethyl)-15-Butan-2-Yl-18-[3-(Diaminomethylideneamino)Propyl]-12-(1-Hydroxyethyl)-3-(Hydroxymethyl)-24-(1-Hydroxy-2-Methylpropyl)-21-(2-Methylpropyl)-2,5,8,11,14,17,20,23,26-Nonaoxo-28-Phenyl-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-27-Yl]-2-[(2-Amino-4-Methylpentanoyl)Amino]-4-Methylpentanamide
[CAS# 116340-02-4]

Identification

• Name: N-[6-(2-Amino-1-Hydroxy-2-Oxoethyl)-15-Butan-2-Yl-18-[3-(Diaminomethylideneamino)Propyl]-12-(1-Hydroxyethyl)-3-(Hydroxymethyl)-24-(1-Hydroxy-2-Methylpropyl)-21-(2-Methylpropyl)-2,5,8,11,14,17,20,23,26-Nonaoxo-28-Phenyl-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-27-Yl]-2-[(2-Amino-4-Methylpentanoyl)Amino]-4-Methylpentanamide
• Synonyms: N-[6-(2-Amino-1-Hydroxy-2-Oxo-Ethyl)-18-(3-Guanidinopropyl)-12-(1-Hydroxyethyl)-3-(Hydroxymethyl)-24-(1-Hydroxy-2-Methyl-Propyl)-21-Isobutyl-2,5,8,11,14,17,20,23,26-Nonaoxo-28-Phenyl-15-Sec-Butyl-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-27-Yl]-2-[(2-Amino-4-Methyl-Pentanoyl)Amino]-4-Methyl-Pentanamide; N-[6-(2-Amino-1-Hydroxy-2-Oxoethyl)-18-(3-Guanidinopropyl)-12-(1-Hydroxyethyl)-3-(Hydroxymethyl)-24-(1-Hydroxy-2-Methylpropyl)-21-Isobutyl-2,5,8,11,14,17,20,23,26-Nonaoxo-28-Phenyl-15-Sec-Butyl-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-27-Yl]-2-[(2-Amino-4-Methyl-1-Oxopentyl)Amino]-4-Methylpentanamide; N-[6-(2-Amino-1-Hydroxy-2-Keto-Ethyl)-18-(3-Guanidinopropyl)-12-(1-Hydroxyethyl)-24-(1-Hydroxy-2-Methyl-Propyl)-21-Isobutyl-2,5,8,11,14,17,20,23,26-Nonaketo-3-Methylol-28-Phenyl-15-Sec-Butyl-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-27-Yl]-2-[(2-Amino-4-Methyl-Pentanoyl)Amino]-4-Methyl-Valeramide
• Molecular Formula: C₅₈H₉₇N₁₅O₁₇
• Molecular Weight: 1276.49
• CAS Registry Number: 116340-02-4 (118374-47-3)
• SMILES: C2=C(C1OC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1NC(=O)C(NC(=O)C(N)CC(C)C)CC(C)C)C(O)C(C)C)CC(C)C)CCCN=C(N)N)C(CC)C)C(O)C)C(O)C(=O)N)CO)C=CC=C2
• InChI: 1S/C58H97N15O17/c1-12-30(10)39-53(85)71-40(31(11)75)52(84)64-24-38(76)69-42(45(78)47(60)79)55(87)68-37(25-74)57(89)90-46(32-17-14-13-15-18-32)43(73-51(83)36(23-28(6)7)66-48(80)33(59)21-26(2)3)56(88)72-41(44(77)29(8)9)54(86)67-35(22-27(4)5)50(82)65-34(49(81)70-39)19-16-20-63-58(61)62/h13-15,17-18,26-31,33-37,39-46,74-75,77-78H,12,16,19-25,59H2,1-11H3,(H2,60,79)(H,64,84)(H,65,82)(H,66,80)(H,67,86)(H,68,87)(H,69,76)(H,70,81)(H,71,85)(H,72,88)(H,73,83)(H4,61,62,63)
• InChIKey: KQMKBWMQSNKASI-UHFFFAOYSA-N

Properties

• Density: 1.425g/cm³ (Cal.)