(3S)-4-azanyl-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-azanyl-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-amino-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-amino-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-amino-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-amino-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-keto-butyric acid Formula: C25H31N5O8 MolecularWeight: 529.54234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)N)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N)NC(=O)[C@@H](CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C25H31N5O8/c26-17(10-15-6-8-16(32)9-7-15)23(36)30-20(13-31)25(38)29-19(11-14-4-2-1-3-5-14)24(37)28-18(22(27)35)12-21(33)34/h1-9,17-20,31-32H,10-13,26H2,(H2,27,35)(H,28,37)(H,29,38)(H,30,36)(H,33,34)/t17-,18-,19-,20+/m0/s1