[3-[[4-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2R)-2-azanyl-1-oxidanyl-propyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]phenyl]methoxycarbonylamino]phenyl]methyl N-[(2S,3S,6R)-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]carbamate

Systemtic Name: [3-[[4-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2R)-2-azanyl-1-oxidanyl-propyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]phenyl]methoxycarbonylamino]phenyl]methyl N-[(2S,3S,6R)-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]carbamate Openeye Name: [3-[[4-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-1-hydroxy-propyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]phenyl]methoxycarbonylamino]phenyl]methyl N-[(2S,3S,6R)-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]carbamate CAS Name: N-[(2S,3S,6R)-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]carbamic acid [3-[[[4-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-1-hydroxypropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]phenyl]methoxy-oxomethyl]amino]phenyl]methyl ester IUPAC Name: [3-[[4-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-1-hydroxypropyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]phenyl]methoxycarbonylamino]phenyl]methyl N-[(2S,3S,6R)-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]carbamate Traditional Name: N-[(2S,3S,6R)-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]carbamic acid [3-[[4-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-1-hydroxy-propyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]benzyl]oxycarbonylamino]benzyl] ester Formula: C61H71N7O18 MolecularWeight: 1190.25254

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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)OCC6=CC(=CC=C6)NC(=O)OCC7=CC=C(C=C7)NC(=O)C(CCCCN)NC(=O)C(CC8=CC=CC=C8)NC(C(C)N)O)O

Isomeric SMILES

C[C@H]1[C@H](C(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)OCC6=CC(=CC=C6)NC(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC8=CC=CC=C8)NC([C@@H](C)N)O)O

InChI

InChI=1S/C61H71N7O18/c1-31(63)56(76)67-42(24-33-11-5-4-6-12-33)58(78)66-40(16-7-8-22-62)57(77)64-36-20-18-34(19-21-36)29-83-59(79)65-37-14-9-13-35(23-37)30-84-60(80)68-41-25-46(85-32(2)51(41)71)86-44-27-61(81,45(70)28-69)26-39-48(44)55(75)50-49(53(39)73)52(72)38-15-10-17-43(82-3)47(38)54(50)74/h4-6,9-15,17-21,23,31-32,40-42,44,46,51,56,67,69,71,73,75-76,81H,7-8,16,22,24-30,62-63H2,1-3H3,(H,64,77)(H,65,79)(H,66,78)(H,68,80)/t31-,32+,40+,41?,42+,44+,46+,51-,56?,61+/m1/s1