(2S)-2-[[5-[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-1-(carboxymethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-[[5-[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-1-(carboxymethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-[[5-[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethoxy]-5-oxo-pentanoyl]amino]-5-[[(1S)-2-(carboxymethylamino)-1-(hydroxymethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-[[5-[2-[(2S,4S)-4-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]-1,5-dioxopentyl]amino]-5-[[(2S)-1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-[[5-[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]-5-oxopentanoyl]amino]-5-[[(2S)-1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-[[5-[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,5,12-trihydroxy-6,11-diketo-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]-2-keto-ethoxy]-5-keto-pentanoyl]amino]-5-[[(1S)-2-(carboxymethylamino)-2-keto-1-methylol-ethyl]amino]-5-keto-valeric acid Formula: C42H50N4O20 MolecularWeight: 930.8612

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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)COC(=O)CCCC(=O)NC(CCC(=O)NC(CO)C(=O)NCC(=O)O)C(=O)O)O)N)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)COC(=O)CCCC(=O)N[C@@H](CCC(=O)N[C@@H](CO)C(=O)NCC(=O)O)C(=O)O)O)N)O

InChI

InChI=1S/C42H50N4O20/c1-17-35(54)20(43)11-30(65-17)66-24-13-42(62,12-19-32(24)39(58)34-33(37(19)56)36(55)18-5-3-6-23(63-2)31(18)38(34)57)25(48)16-64-29(53)8-4-7-26(49)45-21(41(60)61)9-10-27(50)46-22(15-47)40(59)44-14-28(51)52/h3,5-6,17,20-22,24,30,35,47,54,56,58,62H,4,7-16,43H2,1-2H3,(H,44,59)(H,45,49)(H,46,50)(H,51,52)(H,60,61)/t17-,20-,21-,22-,24-,30-,35+,42-/m0/s1