(2S)-N-[2-[[2-[(2S)-2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-1-[2-[2-[[4-[2-[[2-[(2S)-2-[[2-[[2-[(2S)-2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-[[2-[(2S)-2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-1-[2-[2-[[4-[2-[[2-[(2S)-2-[[2-[[2-[(2S)-2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]ethanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-[[2-[(2S)-2-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-2-oxo-ethyl]-1-[2-[2-[[4-[2-[[2-[(2S)-2-[[2-[[2-[(2S)-2-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethylamino]acetyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-[[2-[(2S)-2-[[[(2S)-1-amino-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-2-oxoethyl]-1-[2-[2-[[4-[2-[[2-[(2S)-2-[[[2-[[2-[(2S)-2-[[[(2S)-1-amino-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]ethylamino]-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-[[2-[(2S)-2-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]-1-[2-[2-[[4-[2-[[2-[(2S)-2-[[2-[[2-[(2S)-2-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]acetyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-[[2-[(2S)-2-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]pyrrolidino]-2-keto-ethyl]amino]-2-keto-ethyl]-1-[2-[2-[[4-[2-[[2-[(2S)-2-[[2-[[2-[(2S)-2-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]pyrrolidino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]pyrrolidino]-2-keto-ethyl]amino]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethylamino]acetyl]pyrrolidine-2-carboxamide Formula: C56H76N16O16 MolecularWeight: 1229.30024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1CCCN1C(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)CNCCNC3=C4C(=C(C=C3)NCCNCC(=O)N5CCCC5C(=O)NCC(=O)NCC(=O)N6CCCC6C(=O)NC(C)C(=O)N)C(=O)C7=C(C=CC(=C7C4=O)O)O

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNCCNC3=C4C(=C(C=C3)NCCNCC(=O)N5CCC[C@H]5C(=O)NCC(=O)NCC(=O)N6CCC[C@H]6C(=O)N[C@@H](C)C(=O)N)C(=O)C7=C(C=CC(=C7C4=O)O)O

InChI

InChI=1S/C56H76N16O16/c1-29(51(57)83)67-55(87)35-9-5-21-71(35)43(79)27-63-39(75)23-65-53(85)33-7-3-19-69(33)41(77)25-59-15-17-61-31-11-12-32(46-45(31)49(81)47-37(73)13-14-38(74)48(47)50(46)82)62-18-16-60-26-42(78)70-20-4-8-34(70)54(86)66-24-40(76)64-28-44(80)72-22-6-10-36(72)56(88)68-30(2)52(58)84/h11-14,29-30,33-36,59-62,73-74H,3-10,15-28H2,1-2H3,(H2,57,83)(H2,58,84)(H,63,75)(H,64,76)(H,65,85)(H,66,86)(H,67,87)(H,68,88)/t29-,30-,33-,34-,35-,36-/m0/s1