(2S)-1-[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]-N-[(2R)-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]-N-[(2R)-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]-N-[(1R)-1-benzyl-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopentyl]-N-[(2R)-1-oxo-3-phenylpropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]-N-[(2R)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]-N-[(1R)-1-benzyl-2-keto-ethyl]pyrrolidine-2-carboxamide Formula: C35H58N8O6 MolecularWeight: 686.88502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(CCCN)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C=O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC2=CC=CC=C2)C=O)N

InChI

InChI=1S/C35H58N8O6/c1-22(2)19-26(38)31(45)40-27(13-8-16-36)32(46)42-30(23(3)4)34(48)41-28(14-9-17-37)35(49)43-18-10-15-29(43)33(47)39-25(21-44)20-24-11-6-5-7-12-24/h5-7,11-12,21-23,25-30H,8-10,13-20,36-38H2,1-4H3,(H,39,47)(H,40,45)(H,41,48)(H,42,46)/t25-,26+,27+,28+,29+,30+/m1/s1