(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-naphthalen-1-yl-propanoyl]amino]-N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-5-[bis(azanyl)methylideneamino]pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-naphthalen-1-yl-propanoyl]amino]-N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-5-[bis(azanyl)methylideneamino]pentanamide Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1-naphthyl)propanoyl]amino]-N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-5-guanidino-pentanamide CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-(1-naphthalenyl)-1-oxopropyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1-naphthyl)propanoyl]amino]-N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-5-guanidino-valeramide Formula: C38H45N11O5 MolecularWeight: 735.8346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC3=CC=CC=C32)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N

InChI

InChI=1S/C38H45N11O5/c1-22(50)46-33(18-26-20-42-21-45-26)37(54)49-32(16-24-10-6-9-23-8-2-3-11-27(23)24)36(53)47-30(14-7-15-43-38(40)41)35(52)48-31(34(39)51)17-25-19-44-29-13-5-4-12-28(25)29/h2-6,8-13,19-21,30-33,44H,7,14-18H2,1H3,(H2,39,51)(H,42,45)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,40,41,43)/t30-,31-,32-,33-/m0/s1