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

Systemtic Name: (4S)-4-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-1-[[(1S)-1-[[(1S)-1-benzyl-2-[[(1S)-1-[[(1S,2R)-2-hydroxy-1-[[(1S)-1-[[(1S)-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-4-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-5-[[(2S)-5-hydroxy-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-[[(2S)-5-hydroxy-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-1-[[(1S)-1-[[(1S)-1-benzyl-2-[[(1S)-1-[[(1S,2R)-2-hydroxy-1-[[(1S)-1-[[(1S)-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]propyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-4-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]-5-keto-valeric acid Formula: C50H74N12O18 MolecularWeight: 1131.19216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)N)O

InChI

InChI=1S/C50H74N12O18/c1-24(2)17-32(45(74)61-36(50(79)80)20-28-22-53-23-54-28)60-49(78)41(26(5)63)62-48(77)33(18-25(3)4)57-46(75)34(19-27-9-7-6-8-10-27)58-47(76)35(21-40(69)70)59-44(73)31(13-16-39(67)68)56-43(72)30(12-15-38(65)66)55-42(71)29(51)11-14-37(52)64/h6-10,22-26,29-36,41,63H,11-21,51H2,1-5H3,(H2,52,64)(H,53,54)(H,55,71)(H,56,72)(H,57,75)(H,58,76)(H,59,73)(H,60,78)(H,61,74)(H,62,77)(H,65,66)(H,67,68)(H,69,70)(H,79,80)/t26-,29+,30+,31+,32+,33+,34+,35+,36+,41+/m1/s1