(2S)-2-azanyl-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-[carboxymethyl(hexan-2-yl)amino]-3-oxidanylidene-propyl]disulfanyl]-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-[carboxymethyl(hexan-2-yl)amino]-3-oxidanylidene-propyl]disulfanyl]-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(1R)-1-[[[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-[carboxymethyl(1-methylpentyl)amino]-3-oxo-propyl]disulfanyl]methyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]-3-[carboxymethyl(hexan-2-yl)amino]-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-3-[carboxymethyl(hexan-2-yl)amino]-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(1R)-1-[[[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-3-[carboxymethyl(1-methylpentyl)amino]-3-keto-propyl]disulfanyl]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C26H44N6O12S2 MolecularWeight: 696.79056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)N(CC(=O)O)C(=O)C(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CCCCC(C)N(CC(=O)O)C(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C26H44N6O12S2/c1-3-4-5-14(2)32(11-22(37)38)24(40)18(31-20(34)9-7-16(28)26(43)44)13-46-45-12-17(23(39)29-10-21(35)36)30-19(33)8-6-15(27)25(41)42/h14-18H,3-13,27-28H2,1-2H3,(H,29,39)(H,30,33)(H,31,34)(H,35,36)(H,37,38)(H,41,42)(H,43,44)/t14?,15-,16-,17-,18-/m0/s1