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

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[2-[[(2S)-5-azanyl-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-2-[[(1S)-3-amino-1-[[2-[[(1S)-4-amino-1-carboxy-4-oxo-butyl]amino]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[2-[[(2S)-5-amino-1-hydroxy-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[2-[[(2S)-5-amino-1-hydroxy-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-2-[[(1S)-3-amino-1-[[2-[[(1S)-4-amino-1-carboxy-4-keto-butyl]amino]-2-keto-ethyl]carbamoyl]-3-keto-propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-5-keto-valeric acid Formula: C25H38N10O12 MolecularWeight: 670.62902

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CO)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C25H38N10O12/c26-12(1-4-20(40)41)21(42)35-16(9-36)24(45)33-14(5-11-7-29-10-31-11)23(44)34-15(6-18(28)38)22(43)30-8-19(39)32-13(25(46)47)2-3-17(27)37/h7,10,12-16,36H,1-6,8-9,26H2,(H2,27,37)(H2,28,38)(H,29,31)(H,30,43)(H,32,39)(H,33,45)(H,34,44)(H,35,42)(H,40,41)(H,46,47)/t12-,13-,14-,15-,16-/m0/s1