(3R)-3-azanyl-4-[[(2S)-1-[[(2R,3R)-1-[[(2S)-2-azanyl-6-[[5-[(4-azanyl-4-oxidanylidene-butanoyl)amino]-8,9-bis(oxidanyl)-2,3,5,6-tetrahydro-1H-pyrimido[1,2-a]quinolin-1-yl]carbonylamino]hexanoyl]-[(2S)-2-[[(3R)-1-oxidanyl-2-oxidanylidene-piperidin-3-yl]amino]propanoyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: (3R)-3-azanyl-4-[[(2S)-1-[[(2R,3R)-1-[[(2S)-2-azanyl-6-[[5-[(4-azanyl-4-oxidanylidene-butanoyl)amino]-8,9-bis(oxidanyl)-2,3,5,6-tetrahydro-1H-pyrimido[1,2-a]quinolin-1-yl]carbonylamino]hexanoyl]-[(2S)-2-[[(3R)-1-oxidanyl-2-oxidanylidene-piperidin-3-yl]amino]propanoyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: (3R)-3-amino-4-[[(1S)-2-[[(1R,2R)-1-[[(2S)-2-amino-6-[[5-[(4-amino-4-oxo-butanoyl)amino]-8,9-dihydroxy-2,3,5,6-tetrahydro-1H-pyrimido[1,2-a]quinoline-1-carbonyl]amino]hexanoyl]-[(2S)-2-[[(3R)-1-hydroxy-2-oxo-3-piperidyl]amino]propanoyl]carbamoyl]-2-hydroxy-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-hydroxy-4-oxo-butanoic acid CAS Name: (3R)-3-amino-4-[[(2S)-1-[[(2R,3R)-1-[[(2S)-2-amino-6-[[[5-[(4-amino-1,4-dioxobutyl)amino]-8,9-dihydroxy-2,3,5,6-tetrahydro-1H-pyrimido[1,2-a]quinolin-1-yl]-oxomethyl]amino]-1-oxohexyl]-[(2S)-2-[[(3R)-1-hydroxy-2-oxo-3-piperidinyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-hydroxy-4-oxobutanoic acid IUPAC Name: (3R)-3-amino-4-[[(2S)-1-[[(2R,3R)-1-[[(2S)-2-amino-6-[[5-[(4-amino-4-oxobutanoyl)amino]-8,9-dihydroxy-2,3,5,6-tetrahydro-1H-pyrimido[1,2-a]quinoline-1-carbonyl]amino]hexanoyl]-[(2S)-2-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]propanoyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-hydroxy-4-oxobutanoic acid Traditional Name: (3R)-3-amino-4-[[(1S)-2-[[(1R,2R)-1-[[(2S)-2-amino-6-[[5-[(4-amino-4-keto-butanoyl)amino]-8,9-dihydroxy-2,3,5,6-tetrahydro-1H-pyrimido[1,2-a]quinoline-1-carbonyl]amino]hexanoyl]-[(2S)-2-[[(3R)-1-hydroxy-2-keto-3-piperidyl]amino]propanoyl]carbamoyl]-2-hydroxy-propyl]amino]-2-keto-1-methyl-ethyl]amino]-2-hydroxy-4-keto-butyric acid Formula: C42H62N12O16 MolecularWeight: 991.01248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N(C(=O)C(C)NC1CCCN(C1=O)O)C(=O)C(CCCCNC(=O)C2CCN=C3N2C4=CC(=C(C=C4CC3NC(=O)CCC(=O)N)O)O)N)NC(=O)C(C)NC(=O)C(C(C(=O)O)O)N)O

Isomeric SMILES

C[C@H]([C@H](C(=O)N(C(=O)[C@H](C)N[C@@H]1CCCN(C1=O)O)C(=O)[C@H](CCCCNC(=O)C2CCN=C3N2C4=CC(=C(C=C4CC3NC(=O)CCC(=O)N)O)O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C(C(=O)O)O)N)O

InChI

InChI=1S/C42H62N12O16/c1-18(49-37(63)31(45)33(60)42(68)69)35(61)51-32(20(3)55)41(67)54(38(64)19(2)48-23-8-6-14-52(70)40(23)66)39(65)22(43)7-4-5-12-47-36(62)25-11-13-46-34-24(50-30(59)10-9-29(44)58)15-21-16-27(56)28(57)17-26(21)53(25)34/h16-20,22-25,31-33,48,55-57,60,70H,4-15,43,45H2,1-3H3,(H2,44,58)(H,47,62)(H,49,63)(H,50,59)(H,51,61)(H,68,69)/t18-,19-,20+,22-,23+,24?,25?,31+,32+,33?/m0/s1