(4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]pentyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-3-methyl-butyl]amino]-5-keto-valeric acid Formula: C33H54N10O13 MolecularWeight: 798.84106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC1=CN=CN1)C(=O)NC(C)C(=O)NC(CO)C(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C33H54N10O13/c1-16(2)10-21(40-28(50)19(35)7-8-25(45)46)31(53)42-23(12-26(47)48)32(54)39-20(6-4-5-9-34)29(51)41-22(11-18-13-36-15-37-18)30(52)38-17(3)27(49)43-24(14-44)33(55)56/h13,15-17,19-24,44H,4-12,14,34-35H2,1-3H3,(H,36,37)(H,38,52)(H,39,54)(H,40,50)(H,41,51)(H,42,53)(H,43,49)(H,45,46)(H,47,48)(H,55,56)/t17-,19-,20-,21-,22-,23-,24-/m0/s1