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

Systemtic Name: 2-[azanyl-[(2S)-2-[2-[[4-[2-[[(2S)-1-[azanyl(carboxymethyl)amino]-1-oxidanylidene-propan-2-yl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]propanoyl]amino]ethanoic acid Openeye Name: 2-[amino-[(2S)-2-[2-[[4-[2-[[(1S)-2-[amino(carboxymethyl)amino]-1-methyl-2-oxo-ethyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethylamino]propanoyl]amino]acetic acid CAS Name: 2-[amino-[(2S)-2-[2-[[4-[2-[[(2S)-1-[amino(carboxymethyl)amino]-1-oxopropan-2-yl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]ethylamino]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[amino-[(2S)-2-[2-[[4-[2-[[(2S)-1-[amino(carboxymethyl)amino]-1-oxopropan-2-yl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]propanoyl]amino]acetic acid Traditional Name: 2-[amino-[(2S)-2-[2-[[4-[2-[[(1S)-2-[amino(carboxymethyl)amino]-2-keto-1-methyl-ethyl]amino]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethylamino]propanoyl]amino]acetic acid Formula: C28H36N8O10 MolecularWeight: 644.63304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N8O10/c1-13(27(45)35(29)11-19(39)40)31-7-9-33-15-3-4-16(34-10-8-32-14(2)28(46)36(30)12-20(41)42)22-21(15)25(43)23-17(37)5-6-18(38)24(23)26(22)44/h3-6,13-14,31-34,37-38H,7-12,29-30H2,1-2H3,(H,39,40)(H,41,42)/t13-,14-/m0/s1