(4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-3-methyl-1-[[2-[[(2S,3S)-3-methyl-1-[[(2S)-4-methyl-1-[[(2S,3R)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-3-methyl-1-[[2-[[(2S,3S)-3-methyl-1-[[(2S)-4-methyl-1-[[(2S,3R)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-2-[[2-[[(1S,2S)-1-[[2-[[(1S,2S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-2-[[2-[[(1S,2S)-1-[[2-[[(1S,2S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-5-keto-valeric acid Formula: C42H74N10O14 MolecularWeight: 943.09556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C42H74N10O14/c1-12-21(7)32(49-28(54)17-44-35(58)23(9)46-36(59)24(10)47-37(60)26(43)14-15-30(56)57)39(62)45-18-29(55)50-33(22(8)13-2)40(63)48-27(16-19(3)4)38(61)52-34(25(11)53)41(64)51-31(20(5)6)42(65)66/h19-27,31-34,53H,12-18,43H2,1-11H3,(H,44,58)(H,45,62)(H,46,59)(H,47,60)(H,48,63)(H,49,54)(H,50,55)(H,51,64)(H,52,61)(H,56,57)(H,65,66)/t21-,22-,23-,24-,25+,26-,27-,31-,32-,33-,34-/m0/s1