(3S)-4-[[2-[[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-[2-[[4-[2-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]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-[[2-[[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-[2-[[4-[2-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]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-[[2-[[(1S)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-3-[2-[[4-[2-[[(1S)-1-[[2-[[(1S)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-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-[[2-[[(2S)-1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-[2-[[4-[2-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-2-oxoethyl]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-[[2-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-[2-[[4-[2-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]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-[[2-[[(1S)-2-[(2S)-2-carbamoylpyrrolidino]-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]amino]-3-[2-[[4-[2-[[(1S)-1-[[2-[[(1S)-2-[(2S)-2-carbamoylpyrrolidino]-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethylamino]-4-keto-butyric acid Formula: C46H60N12O16 MolecularWeight: 1037.0394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)N)NC(=O)CNC(=O)C(CC(=O)O)NCCNC2=C3C(=C(C=C2)NCCNC(CC(=O)O)C(=O)NCC(=O)NC(C)C(=O)N4CCCC4C(=O)N)C(=O)C5=C(C=CC(=C5C3=O)O)O

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NCCNC2=C3C(=C(C=C2)NCCN[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N)C(=O)C5=C(C=CC(=C5C3=O)O)O

InChI

InChI=1S/C46H60N12O16/c1-21(45(73)57-15-3-5-27(57)41(47)69)55-31(61)19-53-43(71)25(17-33(63)64)51-13-11-49-23-7-8-24(36-35(23)39(67)37-29(59)9-10-30(60)38(37)40(36)68)50-12-14-52-26(18-34(65)66)44(72)54-20-32(62)56-22(2)46(74)58-16-4-6-28(58)42(48)70/h7-10,21-22,25-28,49-52,59-60H,3-6,11-20H2,1-2H3,(H2,47,69)(H2,48,70)(H,53,71)(H,54,72)(H,55,61)(H,56,62)(H,63,64)(H,65,66)/t21-,22-,25-,26-,27-,28-/m0/s1