N-[(Z)-1-[[12-(3-azanyl-3-oxidanylidene-propyl)-3-[3-[bis(azanyl)methylideneamino]propyl]-6,21-bis(1-hydroxyethyl)-7,25-dimethyl-18-(2-methylpropyl)-2,5,8,11,14,17,20,23-octakis(oxidanylidene)-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-1-oxidanylidene-but-2-en-2-yl]-3-oxidanyl-tetradecanamide

Systemtic Name: N-[(Z)-1-[[12-(3-azanyl-3-oxidanylidene-propyl)-3-[3-[bis(azanyl)methylideneamino]propyl]-6,21-bis(1-hydroxyethyl)-7,25-dimethyl-18-(2-methylpropyl)-2,5,8,11,14,17,20,23-octakis(oxidanylidene)-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-1-oxidanylidene-but-2-en-2-yl]-3-oxidanyl-tetradecanamide Openeye Name: N-[(Z)-1-[[12-(3-amino-3-oxo-propyl)-3-(3-guanidinopropyl)-6,21-bis(1-hydroxyethyl)-18-isobutyl-7,25-dimethyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]carbamoyl]prop-1-enyl]-3-hydroxy-tetradecanamide CAS Name: N-[(Z)-1-[[12-(3-amino-3-oxopropyl)-3-[3-(diaminomethylideneamino)propyl]-6,21-bis(1-hydroxyethyl)-7,25-dimethyl-18-(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-1-oxobut-2-en-2-yl]-3-hydroxytetradecanamide IUPAC Name: N-[(Z)-1-[[12-(3-amino-3-oxopropyl)-3-[3-(diaminomethylideneamino)propyl]-6,21-bis(1-hydroxyethyl)-7,25-dimethyl-18-(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-1-oxobut-2-en-2-yl]-3-hydroxytetradecanamide Traditional Name: N-[(Z)-1-[[12-(3-amino-3-keto-propyl)-3-(3-guanidinopropyl)-6,21-bis(1-hydroxyethyl)-18-isobutyl-2,5,8,11,14,17,20,23-octaketo-7,25-dimethyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]carbamoyl]prop-1-enyl]-3-hydroxy-myristamide Formula: C52H91N13O15 MolecularWeight: 1138.35704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)NC(=CC)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC1=O)C(C)O)CC(C)C)CCC(=O)N)C)C(C)O)CCCN=C(N)N)C)O

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)N/C(=C\C)/C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC1=O)C(C)O)CC(C)C)CCC(=O)N)C)C(C)O)CCCN=C(N)N)C)O

InChI

InChI=1S/C52H91N13O15/c1-9-11-12-13-14-15-16-17-18-20-33(68)26-39(70)59-34(10-2)47(75)64-43-32(7)80-51(79)36(21-19-24-56-52(54)55)61-50(78)44(31(6)67)65(8)41(72)28-58-45(73)35(22-23-38(53)69)60-40(71)27-57-46(74)37(25-29(3)4)62-48(76)42(30(5)66)63-49(43)77/h10,29-33,35-37,42-44,66-68H,9,11-28H2,1-8H3,(H2,53,69)(H,57,74)(H,58,73)(H,59,70)(H,60,71)(H,61,78)(H,62,76)(H,63,77)(H,64,75)(H4,54,55,56)/b34-10-