4-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1S)-1-[[2-[[(1S,2S)-1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]carbamoyl]-2-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(1S)-1-[[2-[[(1S,2S)-1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-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]-2-methyl-butyl]amino]-2-keto-ethyl]carbamoyl]-3-(methylthio)propyl]amino]-4-keto-butyric acid Formula: C44H56N4O16S MolecularWeight: 928.99764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1CC(OC(C1O)C)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)NC(=O)CNC(=O)C(CCSC)NC(=O)CCC(=O)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)CCC(=O)O

InChI

InChI=1S/C44H56N4O16S/c1-7-19(2)36(48-29(51)18-45-42(59)24(13-14-65-6)46-28(50)11-12-30(52)53)43(60)47-25-15-31(63-20(3)37(25)54)64-27-17-44(61,21(4)49)16-23-33(27)41(58)35-34(39(23)56)38(55)22-9-8-10-26(62-5)32(22)40(35)57/h8-10,19-20,24-25,27,31,36-37,54,56,58,61H,7,11-18H2,1-6H3,(H,45,59)(H,46,50)(H,47,60)(H,48,51)(H,52,53)/t19-,20-,24-,25-,27-,31-,36-,37+,44-/m0/s1