(2S)-2-[2-[[(3R)-3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-[(4-sulfamoylphenyl)carbonylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[2-[[(3R)-3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-[(4-sulfamoylphenyl)carbonylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[[2-[[(3R)-3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-[(4-sulfamoylbenzoyl)amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxo-hexanoyl]amino]acetyl]amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[2-[[(3R)-3-[[(2S)-2-[[(2S)-2-cyclohexyl-1-oxo-2-[[oxo-(4-sulfamoylphenyl)methyl]amino]propyl]amino]-4-methyl-1-oxopentyl]amino]-1,2-dioxohexyl]amino]-1-oxoethyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[2-[[(3R)-3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-[(4-sulfamoylbenzoyl)amino]propanoyl]amino]-4-methylpentanoyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-[[2-[[(3R)-3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-[(4-sulfamoylbenzoyl)amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-2-keto-hexanoyl]amino]acetyl]amino]-2-phenyl-acetic acid Formula: C38H52N6O10S MolecularWeight: 784.91868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C)(C2CCCCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCC[C@H](C(=O)C(=O)NCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(C2CCCCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C38H52N6O10S/c1-5-12-28(32(46)35(49)40-22-30(45)43-31(36(50)51)24-13-8-6-9-14-24)41-34(48)29(21-23(2)3)42-37(52)38(4,26-15-10-7-11-16-26)44-33(47)25-17-19-27(20-18-25)55(39,53)54/h6,8-9,13-14,17-20,23,26,28-29,31H,5,7,10-12,15-16,21-22H2,1-4H3,(H,40,49)(H,41,48)(H,42,52)(H,43,45)(H,44,47)(H,50,51)(H2,39,53,54)/t28-,29+,31+,38+/m1/s1