(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-methylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-methylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-pentanamide Openeye Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(p-tolyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]-4-methyl-pentanamide CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(4-methylphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-N-[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]-4-methylpentanamide IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-methylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide Traditional Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(p-tolyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1S)-1-carbamoyl-3-(methylthio)propyl]-4-methyl-valeramide Formula: C49H66N12O6S MolecularWeight: 951.19014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C49H66N12O6S/c1-28(2)22-39(45(64)57-38(43(51)62)19-21-68-4)59-48(67)42(25-32-27-56-37-14-8-6-11-34(32)37)61-46(65)40(23-30-17-15-29(3)16-18-30)60-47(66)41(24-31-26-55-36-13-7-5-10-33(31)36)58-44(63)35(50)12-9-20-54-49(52)53/h5-8,10-11,13-18,26-28,35,38-42,55-56H,9,12,19-25,50H2,1-4H3,(H2,51,62)(H,57,64)(H,58,63)(H,59,67)(H,60,66)(H,61,65)(H4,52,53,54)/t35-,38-,39-,40-,41+,42+/m0/s1