(2S)-2-[(2-acetamido-2-methyl-propanoyl)amino]-N-[(2S,3S)-3-methyl-1-[[(2S,3S)-3-methyl-1-[[2-methyl-1-[(2S)-2-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[2-methyl-1-[(2S)-2-[[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]butanediamide

Systemtic Name: (2S)-2-[(2-acetamido-2-methyl-propanoyl)amino]-N-[(2S,3S)-3-methyl-1-[[(2S,3S)-3-methyl-1-[[2-methyl-1-[(2S)-2-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[2-methyl-1-[(2S)-2-[[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]butanediamide Openeye Name: (2S)-2-[(2-acetamido-2-methyl-propanoyl)amino]-N-[(1S,2S)-1-[[(1S,2S)-1-[[2-[(2S)-2-[[(1S)-1-[[(1S)-1-[[2-[(2S)-2-[[(1S)-1-(hydroxymethyl)-3-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]butanediamide CAS Name: (2S)-2-[(2-acetamido-2-methyl-1-oxopropyl)amino]-N-[(2S,3S)-1-[[(2S,3S)-1-[[1-[(2S)-2-[[[(2S)-1-[[(2S)-1-[[1-[(2S)-2-[[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]butanediamide IUPAC Name: (2S)-2-[(2-acetamido-2-methylpropanoyl)amino]-N-[(2S,3S)-1-[[(2S,3S)-1-[[1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]butanediamide Traditional Name: (2S)-2-[(2-acetamido-2-methyl-propanoyl)amino]-N-[(1S,2S)-1-[[(1S,2S)-1-[[2-keto-2-[(2S)-2-[[(1S)-1-[[(1S)-1-[[2-keto-1,1-dimethyl-2-[(2S)-2-[[(1S)-3-methyl-1-methylol-butyl]carbamoyl]pyrrolidino]ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidino]-1,1-dimethyl-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]succinamide Formula: C58H102N12O13 MolecularWeight: 1175.50308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N2CCCC2C(=O)NC(CC(C)C)CO)NC(=O)C(CC(=O)N)NC(=O)C(C)(C)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)CO)NC(=O)[C@H](CC(=O)N)NC(=O)C(C)(C)NC(=O)C

InChI

InChI=1S/C58H102N12O13/c1-18-34(9)44(64-47(75)40(29-43(59)73)63-53(81)56(12,13)66-36(11)72)51(79)65-45(35(10)19-2)52(80)68-58(16,17)55(83)70-25-21-23-42(70)50(78)62-38(27-32(5)6)46(74)61-39(28-33(7)8)48(76)67-57(14,15)54(82)69-24-20-22-41(69)49(77)60-37(30-71)26-31(3)4/h31-35,37-42,44-45,71H,18-30H2,1-17H3,(H2,59,73)(H,60,77)(H,61,74)(H,62,78)(H,63,81)(H,64,75)(H,65,79)(H,66,72)(H,67,76)(H,68,80)/t34-,35-,37-,38-,39-,40-,41-,42-,44-,45-/m0/s1