2-[[(2S,3S)-2-[[(2S)-4-azanyl-2-[2-[[(2S,3S)-2-(2-azanylethanoylamino)-3-methyl-pentanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S,3S)-2-[[(2S)-4-azanyl-2-[2-[[(2S,3S)-2-(2-azanylethanoylamino)-3-methyl-pentanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methyl-pentanoyl]amino]acetyl]amino]-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[2-[[(2S,3S)-2-[(2-amino-1-oxoethyl)amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[2-[[(2S,3S)-2-(glycylamino)-3-methyl-pentanoyl]amino]acetyl]amino]-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]acetic acid Formula: C22H39N7O8 MolecularWeight: 529.58716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(C(C)CC)C(=O)NCC(=O)O)NC(=O)CN

Isomeric SMILES

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

InChI

InChI=1S/C22H39N7O8/c1-5-11(3)18(28-15(31)8-23)21(36)25-9-16(32)27-13(7-14(24)30)20(35)29-19(12(4)6-2)22(37)26-10-17(33)34/h11-13,18-19H,5-10,23H2,1-4H3,(H2,24,30)(H,25,36)(H,26,37)(H,27,32)(H,28,31)(H,29,35)(H,33,34)/t11-,12-,13-,18-,19-/m0/s1