2-[[1-(2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[[1-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-1-[(3R,4R,5R)-3-methoxy-5-(methylaminomethyl)-4-oxidanyl-oxolan-2-yl]oxy-3-oxidanyl-3-oxidanylidene-propan-2-yl]-(phenylmethyl)amino]propylamino]-4-methyl-3-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[1-(2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[[1-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-1-[(3R,4R,5R)-3-methoxy-5-(methylaminomethyl)-4-oxidanyl-oxolan-2-yl]oxy-3-oxidanyl-3-oxidanylidene-propan-2-yl]-(phenylmethyl)amino]propylamino]-4-methyl-3-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[benzyl-[1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-[(3R,4R,5R)-4-hydroxy-3-methoxy-5-(methylaminomethyl)tetrahydrofuran-2-yl]oxy-ethyl]amino]propylcarbamoyl]-2-hydroxy-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoylamino]-3-methyl-butanoic acid CAS Name: 2-[[[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[[1-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-3-hydroxy-1-[[(3R,4R,5R)-4-hydroxy-3-methoxy-5-(methylaminomethyl)-2-oxolanyl]oxy]-3-oxopropan-2-yl]-(phenylmethyl)amino]propylamino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[benzyl-[1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-hydroxy-1-[(3R,4R,5R)-4-hydroxy-3-methoxy-5-(methylaminomethyl)oxolan-2-yl]oxy-3-oxopropan-2-yl]amino]propylamino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid Traditional Name: 2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[benzyl-[1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-[(3R,4R,5R)-4-hydroxy-3-methoxy-5-(methylaminomethyl)tetrahydrofuran-2-yl]oxy-ethyl]amino]propylcarbamoyl]-2-hydroxy-3-methyl-butyl]amino]-2-keto-ethyl]carbamoylamino]-3-methyl-butyric acid Formula: C46H71N11O17 MolecularWeight: 1050.11944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=O)NCCCN(CC1=CC=CC=C1)C(C(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)OC4C(C(C(O4)CNC)O)OC)C(=O)O)NC(=O)C(C5CCN=C(N5)N)NC(=O)NC(C(C)C)C(=O)O)O

Isomeric SMILES

CC(C)C(C(C(=O)NCCCN(CC1=CC=CC=C1)C(C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)OC4[C@@H]([C@@H]([C@H](O4)CNC)O)OC)C(=O)O)NC(=O)C(C5CCN=C(N5)N)NC(=O)NC(C(C)C)C(=O)O)O

InChI

InChI=1S/C46H71N11O17/c1-21(2)27(41(65)66)54-45(69)55-28(24-13-16-50-44(47)51-24)39(64)53-29(31(59)22(3)4)38(63)49-15-10-17-56(20-23-11-8-7-9-12-23)30(42(67)68)35(74-43-37(71-6)32(60)25(72-43)19-48-5)36-33(61)34(62)40(73-36)57-18-14-26(58)52-46(57)70/h7-9,11-12,14,18,21-22,24-25,27-37,40,43,48,59-62H,10,13,15-17,19-20H2,1-6H3,(H,49,63)(H,53,64)(H,65,66)(H,67,68)(H3,47,50,51)(H,52,58,70)(H2,54,55,69)/t24?,25-,27?,28?,29?,30?,31?,32-,33+,34-,35?,36+,37-,40-,43?/m1/s1