(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]piperidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]piperidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]piperidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-2-piperidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-2-piperidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]piperidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pipecoloyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pipecolinic acid Formula: C52H58N8O7 MolecularWeight: 907.06632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N5CCCCC5C(=O)O)C(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C(CC8=CC=CC=C8)N

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N5CCCC[C@H]5C(=O)O)C(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CC8=CC=CC=C8)N

InChI

InChI=1S/C52H58N8O7/c53-39(27-33-15-3-1-4-16-33)47(61)57-43(29-35-31-54-40-21-9-7-19-37(35)40)50(64)59-25-13-11-23-45(59)49(63)56-42(28-34-17-5-2-6-18-34)48(62)58-44(30-36-32-55-41-22-10-8-20-38(36)41)51(65)60-26-14-12-24-46(60)52(66)67/h1-10,15-22,31-32,39,42-46,54-55H,11-14,23-30,53H2,(H,56,63)(H,57,61)(H,58,62)(H,66,67)/t39-,42-,43-,44-,45-,46-/m0/s1