(3S)-3-azanyl-4-[[(2S)-6-azanyl-1-[[(2R)-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[(2S)-6-azanyl-1-[[(2R)-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(1S)-5-amino-1-[[(1R)-2-[[(1S)-1-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pentyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2S)-6-amino-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2S)-6-amino-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(1S)-5-amino-1-[[(1R)-2-[[(1S)-1-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]pentyl]amino]-4-keto-butyric acid Formula: C22H40N6O8S MolecularWeight: 548.6534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)O)NC(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C22H40N6O8S/c1-11(2)8-15(20(33)25-12(3)22(35)36)27-21(34)16(10-37)28-19(32)14(6-4-5-7-23)26-18(31)13(24)9-17(29)30/h11-16,37H,4-10,23-24H2,1-3H3,(H,25,33)(H,26,31)(H,27,34)(H,28,32)(H,29,30)(H,35,36)/t12-,13-,14-,15-,16-/m0/s1