(2S)-5-azanyl-2-[2-[[(2S)-2-[[(2S,3R)-2-(2-azanylethanoylamino)-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[2-[[(2S)-2-[[(2S,3R)-2-(2-azanylethanoylamino)-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3R)-2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3R)-2-(glycylamino)-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-5-keto-valeric acid Formula: C16H28N6O9 MolecularWeight: 448.42832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N6O9/c1-7(24)13(22-11(26)4-17)15(29)21-9(6-23)14(28)19-5-12(27)20-8(16(30)31)2-3-10(18)25/h7-9,13,23-24H,2-6,17H2,1H3,(H2,18,25)(H,19,28)(H,20,27)(H,21,29)(H,22,26)(H,30,31)/t7-,8+,9+,13+/m1/s1