(2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]-N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]-N-[(1S)-2-amino-2-keto-1-methyl-ethyl]pyrrolidine-2-carboxamide Formula: C40H50N8O9 MolecularWeight: 786.8732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=C(C=C2)O)NC(=O)CNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](C)NC(=O)[C@H](CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C40H50N8O9/c1-23(35(42)52)44-39(56)33-9-6-18-48(33)40(57)32(21-27-12-16-29(50)17-13-27)46-34(51)22-43-38(55)31(20-25-7-4-3-5-8-25)47-36(53)24(2)45-37(54)30(41)19-26-10-14-28(49)15-11-26/h3-5,7-8,10-17,23-24,30-33,49-50H,6,9,18-22,41H2,1-2H3,(H2,42,52)(H,43,55)(H,44,56)(H,45,54)(H,46,51)(H,47,53)/t23-,24+,30-,31-,32-,33-/m0/s1