(phenylmethyl) (2S)-2-[[(2S)-1-[[2-[(2S)-2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-10-methoxy-3,5-bis(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]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-1-[[2-[(2S)-2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-10-methoxy-3,5-bis(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]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[(1S)-2-[[2-[(2S)-2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3,5-dihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(2S)-1-[[2-[(2S)-2-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3,5-dihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-1-[[2-[(2S)-2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3,5-dihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(1S)-2-[[2-[(2S)-2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-glycoloyl-3,5-dihydroxy-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]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C50H57N5O16 MolecularWeight: 984.01148

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C2C=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)(C(=O)CO)O)NC(=O)C6CCCN6C(=O)CNC(=O)C(C)NC(=O)C7CCCN7C(=O)OCC8=CC=CC=C8)O

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)(C(=O)CO)O)NC(=O)[C@@H]6CCCN6C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]7CCCN7C(=O)OCC8=CC=CC=C8)O

InChI

InChI=1S/C50H57N5O16/c1-25(52-47(64)34-14-9-17-55(34)49(66)69-24-27-10-5-4-6-11-27)46(63)51-22-38(58)54-16-8-13-33(54)48(65)53-32-19-39(70-26(2)42(32)59)71-36-21-50(67,37(57)23-56)20-31-29(36)18-30-41(45(31)62)43(60)28-12-7-15-35(68-3)40(28)44(30)61/h4-7,10-12,15,18,25-26,32-34,36,39,42,56,59,62,67H,8-9,13-14,16-17,19-24H2,1-3H3,(H,51,63)(H,52,64)(H,53,65)/t25-,26-,32-,33-,34-,36-,39-,42+,50-/m0/s1