(2S)-4-azanyl-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[[(2S)-1-[(2S,3S)-2-[[[(2S)-1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-glycylprolyl]amino]-3-methyl-pentanoyl]prolyl]amino]-4-keto-butyric acid Formula: C22H36N6O7 MolecularWeight: 496.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C2CCCN2C(=O)CN

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CN

InChI

InChI=1S/C22H36N6O7/c1-3-12(2)18(26-20(32)14-6-4-8-27(14)17(30)11-23)21(33)28-9-5-7-15(28)19(31)25-13(22(34)35)10-16(24)29/h12-15,18H,3-11,23H2,1-2H3,(H2,24,29)(H,25,31)(H,26,32)(H,34,35)/t12-,13-,14-,15-,18-/m0/s1