(3S)-4-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-6-[2,4-bis(oxidanylidene)-8-phenylmethoxy-pyrimido[4,5-b]quinolin-10-yl]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-[[(2S)-5-azanyl-2-[[(2S)-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-6-[2,4-bis(oxidanylidene)-8-phenylmethoxy-pyrimido[4,5-b]quinolin-10-yl]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-[[(2S)-5-azanyl-2-[[(2S)-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-5-(8-benzyloxy-2,4-dioxo-pyrimido[4,5-b]quinolin-10-yl)pentyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-3-[[(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-6-(2,4-dioxo-8-phenylmethoxy-10-pyrimido[4,5-b]quinolinyl)-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[(2S)-5-amino-2-[[(2S)-2-amino-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-6-(2,4-dioxo-8-phenylmethoxypyrimido[4,5-b]quinolin-10-yl)-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]pentyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-5-(8-benzoxy-2,4-diketo-pyrimido[4,5-b]quinolin-10-yl)pentyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]pentyl]amino]-3-[[(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-keto-pentanoyl]amino]-4-keto-butyric acid Formula: C57H82N16O16 MolecularWeight: 1247.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCCN1C2=C(C=CC(=C2)OCC3=CC=CC=C3)C=C4C1=NC(=O)NC4=O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN1C2=C(C=CC(=C2)OCC3=CC=CC=C3)C=C4C1=NC(=O)NC4=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N)N

InChI

InChI=1S/C57H82N16O16/c1-30(60)48(79)65-40(20-21-44(61)75)54(85)69-41(27-45(76)77)55(86)67-38(16-8-11-23-59)52(83)64-32(3)49(80)66-39(53(84)70-42(28-74)56(87)68-37(15-7-10-22-58)51(82)63-31(2)46(62)78)17-9-12-24-73-43-26-35(89-29-33-13-5-4-6-14-33)19-18-34(43)25-36-47(73)71-57(88)72-50(36)81/h4-6,13-14,18-19,25-26,30-32,37-42,74H,7-12,15-17,20-24,27-29,58-60H2,1-3H3,(H2,61,75)(H2,62,78)(H,63,82)(H,64,83)(H,65,79)(H,66,80)(H,67,86)(H,68,87)(H,69,85)(H,70,84)(H,76,77)(H,72,81,88)/t30-,31-,32-,37-,38-,39-,40-,41-,42-/m0/s1