2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propyl]pyrrolidin-2-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propyl]pyrrolidin-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propyl]pyrrolidine-2-carbonyl]amino]acetic acid CAS Name: 2-[[[(2S)-1-[2-[[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropyl]pyrrolidine-2-carbonyl]amino]acetic acid Traditional Name: 2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]prolyl]amino]-3-phenyl-propyl]prolyl]amino]acetic acid Formula: C30H39N5O6 MolecularWeight: 565.66056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C(CC4=CC=C(C=C4)O)N)C(=O)NCC(=O)O

Isomeric SMILES

C1C[C@H](N(C1)CC(CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)N)C(=O)NCC(=O)O

InChI

InChI=1S/C30H39N5O6/c31-24(17-21-10-12-23(36)13-11-21)30(41)35-15-5-9-26(35)29(40)33-22(16-20-6-2-1-3-7-20)19-34-14-4-8-25(34)28(39)32-18-27(37)38/h1-3,6-7,10-13,22,24-26,36H,4-5,8-9,14-19,31H2,(H,32,39)(H,33,40)(H,37,38)/t22?,24-,25-,26-/m0/s1