(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-(4-chlorophenyl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]hexanamide

Systemtic Name: (2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-(4-chlorophenyl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]hexanamide Openeye Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1S)-1-[[(1S)-2-[[(1S)-2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]hexanamide CAS Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-chlorophenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide IUPAC Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide Traditional Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1S)-1-[[(1S)-2-[[(1S)-2-amino-2-keto-1-(2-naphthylmethyl)ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-propyl]hexanamide Formula: C59H72ClN11O9 MolecularWeight: 1114.72428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C)NC(=O)C(CC6=CC=C(C=C6)Cl)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC5=CC=CC=C5C=C4)C(=O)N)NC(=O)[C@@H](CC6=CC=C(C=C6)Cl)N

InChI

InChI=1S/C59H72ClN11O9/c1-33(2)51(59(80)66-35(4)53(74)68-48(52(63)73)30-38-16-21-39-11-5-6-12-40(39)27-38)71-56(77)47(15-9-10-26-61)67-58(79)50(31-41-32-64-46-14-8-7-13-44(41)46)70-57(78)49(29-37-19-24-43(72)25-20-37)69-54(75)34(3)65-55(76)45(62)28-36-17-22-42(60)23-18-36/h5-8,11-14,16-25,27,32-35,45,47-51,64,72H,9-10,15,26,28-31,61-62H2,1-4H3,(H2,63,73)(H,65,76)(H,66,80)(H,67,79)(H,68,74)(H,69,75)(H,70,78)(H,71,77)/t34-,35-,45+,47-,48-,49-,50+,51-/m0/s1