(2S)-6-azanyl-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-(3-azanylpropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide

Systemtic Name: (2S)-6-azanyl-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-(3-azanylpropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide Openeye Name: (2S)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-(3-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide CAS Name: (2S)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[(3-amino-1-oxopropyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]hexanamide IUPAC Name: (2S)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-(3-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide Traditional Name: (2S)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-(3-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide Formula: C42H50N10O5 MolecularWeight: 774.9104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CCCCN)C(=O)N)NC(=O)CCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CCN

InChI

InChI=1S/C42H50N10O5/c43-17-8-7-15-34(39(45)54)50-41(56)36(20-26-23-47-32-13-5-2-10-29(26)32)52-42(57)37(21-27-24-48-33-14-6-3-11-30(27)33)51-40(55)35(49-38(53)16-18-44)19-25-22-46-31-12-4-1-9-28(25)31/h1-6,9-14,22-24,34-37,46-48H,7-8,15-21,43-44H2,(H2,45,54)(H,49,53)(H,50,56)(H,51,55)(H,52,57)/t34-,35-,36+,37+/m0/s1