(2S)-1-[(2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-5-hydroxy-1,5-dioxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-5-hydroxy-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-5-hydroxy-5-keto-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]proline Formula: C35H45N7O11 MolecularWeight: 739.7721

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)O)N)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)N)C(=O)O

InChI

InChI=1S/C35H45N7O11/c36-23(12-15-30(46)47)31(48)41-25(17-20-5-2-1-3-6-20)33(50)40-24(13-14-28(37)44)32(49)38-19-29(45)39-26(18-21-8-10-22(43)11-9-21)34(51)42-16-4-7-27(42)35(52)53/h1-3,5-6,8-11,23-27,43H,4,7,12-19,36H2,(H2,37,44)(H,38,49)(H,39,45)(H,40,50)(H,41,48)(H,46,47)(H,52,53)/t23-,24-,25-,26-,27-/m0/s1