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

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S,3R)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-4-guanidino-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S,2R)-2-hydroxy-1-[[(1S)-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-4-guanidino-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S,2R)-2-hydroxy-1-[[(1S)-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]butyl]amino]-5-keto-valeric acid Formula: C36H54N16O12 MolecularWeight: 902.91396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CN=CN3)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)N)O

InChI

InChI=1S/C36H54N16O12/c1-17(54)28(34(62)50-25(35(63)64)9-20-12-42-16-46-20)52-32(60)24(8-19-11-41-15-45-19)48-31(59)23(7-18-10-40-14-44-18)49-33(61)26(13-53)51-30(58)22(3-2-6-43-36(38)39)47-29(57)21(37)4-5-27(55)56/h10-12,14-17,21-26,28,53-54H,2-9,13,37H2,1H3,(H,40,44)(H,41,45)(H,42,46)(H,47,57)(H,48,59)(H,49,61)(H,50,62)(H,51,58)(H,52,60)(H,55,56)(H,63,64)(H4,38,39,43)/t17-,21+,22+,23+,24+,25+,26+,28+/m1/s1