(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-naphthalen-2-yl-propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]hexanamide

Systemtic Name: (2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-naphthalen-2-yl-propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]hexanamide Openeye Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(2-naphthyl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]hexanamide CAS Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(2-naphthalenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-N-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-(4H-imidazol-4-yl)-1-oxopropyl]hexanamide IUPAC Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]hexanamide Traditional Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(2-naphthyl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]hexanamide Formula: C51H62N12O7 MolecularWeight: 955.11418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1C=NC=N1)C(=O)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(C)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1C=NC=N1)C(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](C)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)N)N

InChI

InChI=1S/C51H62N12O7/c1-30(53)45(64)60-44(26-37-28-55-29-57-37)51(70)63-48(67)41(18-10-11-21-52)59-49(68)42(24-32-12-4-3-5-13-32)62-50(69)43(25-36-27-56-40-17-9-8-16-38(36)40)61-46(65)31(2)58-47(66)39(54)23-33-19-20-34-14-6-7-15-35(34)22-33/h3-9,12-17,19-20,22,27-31,37,39,41-44,56H,10-11,18,21,23-26,52-54H2,1-2H3,(H,58,66)(H,59,68)(H,60,64)(H,61,65)(H,62,69)(H,63,67,70)/t30-,31-,37?,39+,41-,42+,43-,44-/m0/s1