(1R)-1-[[(2S)-1-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]pentane-1-sulfonic acid

Systemtic Name: (1R)-1-[[(2S)-1-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]pentane-1-sulfonic acid Openeye Name: (1R)-1-[[(1S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-1-benzyl-2-oxo-ethyl]amino]pentane-1-sulfonic acid CAS Name: (1R)-1-[[(2S)-1-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-pentanesulfonic acid IUPAC Name: (1R)-1-[[(2S)-1-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]pentane-1-sulfonic acid Traditional Name: (1R)-1-[[(1S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-1-benzyl-2-keto-ethyl]amino]pentane-1-sulfonic acid Formula: C28H39N5O8S MolecularWeight: 605.70296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(NC(CC1=CC=CC=C1)C(=O)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N)S(=O)(=O)O

Isomeric SMILES

CCCC[C@H](N[C@@H](CC1=CC=CC=C1)C(=O)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)S(=O)(=O)O

InChI

InChI=1S/C28H39N5O8S/c1-3-4-10-25(42(39,40)41)32-23(16-19-8-6-5-7-9-19)28(38)33-24(35)17-30-26(36)18(2)31-27(37)22(29)15-20-11-13-21(34)14-12-20/h5-9,11-14,18,22-23,25,32,34H,3-4,10,15-17,29H2,1-2H3,(H,30,36)(H,31,37)(H,33,35,38)(H,39,40,41)/t18-,22+,23+,25-/m1/s1