(2S)-N-[(2S)-1-[[2-[(2S)-2-[[(2S,3S,4S,6S)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]-1-(2-pyridin-3-ylethanoyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-[[2-[(2S)-2-[[(2S,3S,4S,6S)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]-1-(2-pyridin-3-ylethanoyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-[[2-[(2S)-2-[[(2S,3S,4S,6S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-1-[2-(3-pyridyl)acetyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-[[2-[(2S)-2-[[[(2S,3S,4S,6S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-oxanyl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1-[1-oxo-2-(3-pyridinyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-[[2-[(2S)-2-[[(2S,3S,4S,6S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-[[2-[(2S)-2-[[(2S,3S,4S,6S)-6-[[(1S,3S)-3-glycoloyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]carbamoyl]pyrrolidino]-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]-1-[2-(3-pyridyl)acetyl]pyrrolidine-2-carboxamide Formula: C49H56N6O16 MolecularWeight: 984.99954

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)NC(=O)C6CCCN6C(=O)CNC(=O)C(C)NC(=O)C7CCCN7C(=O)CC8=CN=CC=C8)O

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)NC(=O)[C@@H]6CCCN6C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]7CCCN7C(=O)CC8=CN=CC=C8)O

InChI

InChI=1S/C49H56N6O16/c1-23(52-47(66)29-10-6-14-54(29)34(58)16-25-8-5-13-50-20-25)46(65)51-21-35(59)55-15-7-11-30(55)48(67)53-28-17-36(70-24(2)41(28)60)71-32-19-49(68,33(57)22-56)18-27-38(32)45(64)40-39(43(27)62)42(61)26-9-4-12-31(69-3)37(26)44(40)63/h4-5,8-9,12-13,20,23-24,28-30,32,36,41,56,60,62,64,68H,6-7,10-11,14-19,21-22H2,1-3H3,(H,51,65)(H,52,66)(H,53,67)/t23-,24-,28-,29-,30-,32-,36+,41+,49-/m0/s1