2-[3-[(4S,7S,10R)-7-[(4-aminophenyl)methyl]-10-azanyl-16-[[7-methyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]sulfonylamino]-6,9,13-tris(oxidanylidene)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-4-yl]propyl]guanidine

Systemtic Name: 2-[3-[(4S,7S,10R)-7-[(4-aminophenyl)methyl]-10-azanyl-16-[[7-methyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]sulfonylamino]-6,9,13-tris(oxidanylidene)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-4-yl]propyl]guanidine Openeye Name: 2-[3-[(4S,7S,10R)-10-amino-7-[(4-aminophenyl)methyl]-16-[(7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-4-yl]propyl]guanidine CAS Name: 2-[3-[(4S,7S,10R)-10-amino-7-[(4-aminophenyl)methyl]-16-[(7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-4-yl]propyl]guanidine IUPAC Name: 2-[3-[(4S,7S,10R)-10-amino-7-[(4-aminophenyl)methyl]-16-[(7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-4-yl]propyl]guanidine Traditional Name: 2-[3-[(4S,7S,10R)-10-amino-7-(4-aminobenzyl)-16-[(2,3-diketo-7-methyl-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-6,9,13-triketo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-4-yl]propyl]guanidine Formula: C34H41N11O8S MolecularWeight: 763.82324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NC3=CC4=C(C=C3)OCC(NC(=O)C(NC(=O)C(CNC4=O)N)CC5=CC=C(C=C5)N)CCCN=C(N)N)NC(=O)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)NC3=CC4=C(C=C3)OC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CNC4=O)N)CC5=CC=C(C=C5)N)CCCN=C(N)N)NC(=O)C(=O)N2

InChI

InChI=1S/C34H41N11O8S/c1-17-11-24-25(43-33(50)32(49)42-24)14-28(17)54(51,52)45-20-8-9-27-22(13-20)29(46)40-15-23(36)30(47)44-26(12-18-4-6-19(35)7-5-18)31(48)41-21(16-53-27)3-2-10-39-34(37)38/h4-9,11,13-14,21,23,26,45H,2-3,10,12,15-16,35-36H2,1H3,(H,40,46)(H,41,48)(H,42,49)(H,43,50)(H,44,47)(H4,37,38,39)/t21-,23+,26-/m0/s1