2-[5-[(E)-[(8R,9S,10R,13S,14S,17R)-17-[(E)-N-[5-[bis(carboxymethyl)amino]pentoxy]-C-methyl-carbonimidoyl]-10,13-dimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxypentyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[5-[(E)-[(8R,9S,10R,13S,14S,17R)-17-[(E)-N-[5-[bis(carboxymethyl)amino]pentoxy]-C-methyl-carbonimidoyl]-10,13-dimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxypentyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[5-[(E)-[(8R,9S,10R,13S,14S,17R)-17-[(E)-N-[5-[bis(carboxymethyl)amino]pentoxy]-C-methyl-carbonimidoyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxypentyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[5-[(E)-[(8R,9S,10R,13S,14S,17R)-17-[(1E)-1-[5-[bis(carboxymethyl)amino]pentoxyimino]ethyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxypentyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[5-[(E)-[(8R,9S,10R,13S,14S,17R)-17-[(E)-N-[5-[bis(carboxymethyl)amino]pentoxy]-C-methylcarbonimidoyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxypentyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[5-[(E)-[(8R,9S,10R,13S,14S,17R)-17-[(E)-N-[5-[bis(carboxymethyl)amino]pentoxy]-C-methyl-carbonimidoyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxypentyl-(carboxymethyl)amino]acetic acid Formula: C39H62N4O11 MolecularWeight: 762.92978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCCCCCN(CC(=O)O)CC(=O)O)C1(CCC2C1(CCC3C2CCC4=CC(=NOCCCCCN(CC(=O)O)CC(=O)O)CCC34C)C)O

Isomeric SMILES

C/C(=N\OCCCCCN(CC(=O)O)CC(=O)O)/[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N/OCCCCCN(CC(=O)O)CC(=O)O)/CC[C@]34C)C)O

InChI

InChI=1S/C39H62N4O11/c1-27(40-53-20-8-4-6-18-42(23-33(44)45)24-34(46)47)39(52)17-14-32-30-11-10-28-22-29(12-15-37(28,2)31(30)13-16-38(32,39)3)41-54-21-9-5-7-19-43(25-35(48)49)26-36(50)51/h22,30-32,52H,4-21,23-26H2,1-3H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)/b40-27+,41-29+/t30-,31+,32+,37+,38+,39+/m1/s1