[(2R,3S,4R,5R,6R)-5-acetamido-4-[1-[[(2S)-1-[[(2R)-1-azanyl-1,5-bis(oxidanylidene)-5-phenylmethoxy-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-oxidanyl-6-phenylmethoxy-oxan-2-yl]methyl 6-[(4-nitro-7-oxidanyl-9-oxidanylidene-10H-acridin-1-yl)amino]hexanoate

Systemtic Name: [(2R,3S,4R,5R,6R)-5-acetamido-4-[1-[[(2S)-1-[[(2R)-1-azanyl-1,5-bis(oxidanylidene)-5-phenylmethoxy-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-oxidanyl-6-phenylmethoxy-oxan-2-yl]methyl 6-[(4-nitro-7-oxidanyl-9-oxidanylidene-10H-acridin-1-yl)amino]hexanoate Openeye Name: [(2R,3S,4R,5R,6R)-5-acetamido-6-benzyloxy-4-[2-[[(1S)-2-[[(1R)-4-benzyloxy-1-carbamoyl-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethoxy]-3-hydroxy-tetrahydropyran-2-yl]methyl 6-[(7-hydroxy-4-nitro-9-oxo-10H-acridin-1-yl)amino]hexanoate CAS Name: 6-[(7-hydroxy-4-nitro-9-oxo-10H-acridin-1-yl)amino]hexanoic acid [(2R,3S,4R,5R,6R)-5-acetamido-4-[1-[[(2S)-1-[[(2R)-1-amino-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxy-3-hydroxy-6-phenylmethoxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6R)-5-acetamido-4-[1-[[(2S)-1-[[(2R)-1-amino-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxy-3-hydroxy-6-phenylmethoxyoxan-2-yl]methyl 6-[(7-hydroxy-4-nitro-9-oxo-10H-acridin-1-yl)amino]hexanoate Traditional Name: 6-[(7-hydroxy-9-keto-4-nitro-10H-acridin-1-yl)amino]hexanoic acid [(2R,3S,4R,5R,6R)-5-acetamido-6-benzoxy-4-[2-[[(1S)-2-[[(1R)-4-benzoxy-1-carbamoyl-4-keto-butyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethoxy]-3-hydroxy-tetrahydropyran-2-yl]methyl ester Formula: C52H61N7O16 MolecularWeight: 1040.07804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)C(C)OC2C(C(OC(C2O)COC(=O)CCCCCNC3=C4C(=C(C=C3)[N+](=O)[O-])NC5=C(C4=O)C=C(C=C5)O)OCC6=CC=CC=C6)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N[C@H](CCC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)C(C)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)COC(=O)CCCCCNC3=C4C(=C(C=C3)[N+](=O)[O-])NC5=C(C4=O)C=C(C=C5)O)OCC6=CC=CC=C6)NC(=O)C

InChI

InChI=1S/C52H61N7O16/c1-29(50(67)58-38(49(53)66)21-23-42(63)71-26-32-13-7-4-8-14-32)55-51(68)30(2)74-48-45(56-31(3)60)52(73-27-33-15-9-5-10-16-33)75-40(47(48)65)28-72-41(62)17-11-6-12-24-54-37-20-22-39(59(69)70)44-43(37)46(64)35-25-34(61)18-19-36(35)57-44/h4-5,7-10,13-16,18-20,22,25,29-30,38,40,45,47-48,52,54,61,65H,6,11-12,17,21,23-24,26-28H2,1-3H3,(H2,53,66)(H,55,68)(H,56,60)(H,57,64)(H,58,67)/t29-,30?,38+,40+,45+,47+,48+,52+/m0/s1