(3S)-3-[[(2S)-2-[[(2S)-5-azanyl-2-(2-azanylethanoylamino)-5-oxidanylidene-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[(2S)-2-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-5-azanyl-2-(2-azanylethanoylamino)-5-oxidanylidene-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[(2S)-2-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[(2-aminoacetyl)amino]-5-oxo-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[(2S)-2-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]pyrrolidin-1-yl]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[(2-amino-1-oxoethyl)amino]-1,5-dioxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-[(2S)-2-[[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[(2S)-2-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-5-amino-2-(glycylamino)-5-keto-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[(2S)-2-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]pyrrolidino]-4-keto-butyric acid Formula: C26H39N9O11 MolecularWeight: 653.64156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1CCCN1C(=O)C(CC(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCC(=O)N)NC(=O)CN)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCC(=O)N)NC(=O)CN)O

InChI

InChI=1S/C26H39N9O11/c1-12(36)21(26(45)46)34-24(43)17-3-2-6-35(17)25(44)16(8-20(39)40)33-23(42)15(7-13-10-29-11-30-13)32-22(41)14(4-5-18(28)37)31-19(38)9-27/h10-12,14-17,21,36H,2-9,27H2,1H3,(H2,28,37)(H,29,30)(H,31,38)(H,32,41)(H,33,42)(H,34,43)(H,39,40)(H,45,46)/t12-,14+,15+,16+,17+,21+/m1/s1