(4R)-4-[[(2S)-2-[2-[(2R,3S,4R,5R,6R)-5-acetamido-2-[3-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]propanoyloxymethyl]-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (4R)-4-[[(2S)-2-[2-[(2R,3S,4R,5R,6R)-5-acetamido-2-[3-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]propanoyloxymethyl]-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: (4R)-4-[[(2S)-2-[2-[(2R,3S,4R,5R,6R)-5-acetamido-2-[3-[(6-chloro-2-methoxy-acridin-9-yl)amino]propanoyloxymethyl]-3,6-dihydroxy-tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxo-pentanoic acid CAS Name: (4R)-4-[[(2S)-2-[[2-[[(2R,3S,4R,5R,6R)-5-acetamido-2-[[3-[(6-chloro-2-methoxy-9-acridinyl)amino]-1-oxopropoxy]methyl]-3,6-dihydroxy-4-oxanyl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-amino-5-oxopentanoic acid IUPAC Name: (4R)-4-[[(2S)-2-[2-[(2R,3S,4R,5R,6R)-5-acetamido-2-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propanoyloxymethyl]-3,6-dihydroxyoxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoic acid Traditional Name: (4R)-4-[[(2S)-2-[2-[(2R,3S,4R,5R,6R)-5-acetamido-2-[3-[(6-chloro-2-methoxy-acridin-9-yl)amino]propanoyloxymethyl]-3,6-dihydroxy-tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-keto-valeric acid Formula: C36H45ClN6O13 MolecularWeight: 805.2279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(C)OC1C(C(OC(C1O)COC(=O)CCNC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)O)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)C(C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)COC(=O)CCNC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)O)NC(=O)C

InChI

InChI=1S/C36H45ClN6O13/c1-16(34(50)43-24(33(38)49)9-10-27(45)46)40-35(51)17(2)55-32-30(41-18(3)44)36(52)56-26(31(32)48)15-54-28(47)11-12-39-29-21-7-5-19(37)13-25(21)42-23-8-6-20(53-4)14-22(23)29/h5-8,13-14,16-17,24,26,30-32,36,48,52H,9-12,15H2,1-4H3,(H2,38,49)(H,39,42)(H,40,51)(H,41,44)(H,43,50)(H,45,46)/t16-,17?,24+,26+,30+,31+,32+,36+/m0/s1