(4S)-4-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(2S)-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid; ethyl 2-azanylethanoate

Systemtic Name: (4S)-4-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(2S)-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid; ethyl 2-azanylethanoate Openeye Name: (4S)-4-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(1S)-2-(carboxymethylamino)-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid; ethyl 2-aminoacetate CAS Name: 2-aminoacetic acid ethyl ester; (4S)-4-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid; ethyl 2-aminoacetate Traditional Name: 2-aminoacetic acid ethyl ester; (4S)-4-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(1S)-2-(carboxymethylamino)-2-keto-1-methyl-ethyl]amino]-5-keto-valeric acid Formula: C23H35N5O10 MolecularWeight: 541.5515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN.CC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

CCOC(=O)CN.C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C19H26N4O8.C4H9NO2/c1-10(17(29)21-9-16(27)28)22-19(31)14(6-7-15(25)26)23-18(30)13(20)8-11-2-4-12(24)5-3-11;1-2-7-4(6)3-5/h2-5,10,13-14,24H,6-9,20H2,1H3,(H,21,29)(H,22,31)(H,23,30)(H,25,26)(H,27,28);2-3,5H2,1H3/t10-,13-,14-;/m0./s1