(3S)-4-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-[2-[[4-[2-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-[2-[[4-[2-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]amino]-3-[2-[[4-[2-[[(1S)-1-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethylamino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-[2-[[4-[2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]ethylamino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-[2-[[4-[2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-2-amino-2-keto-1-methyl-ethyl]amino]-3-[2-[[4-[2-[[(1S)-1-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethylamino]-4-keto-butyric acid Formula: C32H40N8O12 MolecularWeight: 728.7064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C(CC(=O)O)NCCNC1=C2C(=C(C=C1)NCCNC(CC(=O)O)C(=O)NC(C)C(=O)N)C(=O)C3=C(C=CC(=C3C2=O)O)O

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)[C@H](CC(=O)O)NCCNC1=C2C(=C(C=C1)NCCN[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N)C(=O)C3=C(C=CC(=C3C2=O)O)O

InChI

InChI=1S/C32H40N8O12/c1-13(29(33)49)39-31(51)17(11-21(43)44)37-9-7-35-15-3-4-16(24-23(15)27(47)25-19(41)5-6-20(42)26(25)28(24)48)36-8-10-38-18(12-22(45)46)32(52)40-14(2)30(34)50/h3-6,13-14,17-18,35-38,41-42H,7-12H2,1-2H3,(H2,33,49)(H2,34,50)(H,39,51)(H,40,52)(H,43,44)(H,45,46)/t13-,14-,17-,18-/m0/s1