(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(E,3S)-1-[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-pent-1-en-3-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]pentanediamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(E,3S)-1-[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-pent-1-en-3-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]pentanediamide Openeye Name: (2S)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(E,1S)-3-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]-1-isopropyl-allyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]pentanediamide CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(E,3S)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methylpent-1-en-3-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]pentanediamide IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(E,3S)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methylpent-1-en-3-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]pentanediamide Traditional Name: (2S)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(E,1S)-3-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]-1-isopropyl-allyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]glutaramide Formula: C53H76N14O9 MolecularWeight: 1053.25894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC=CC(C(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](/C=C/N[C@H](CC(C)C)C(=O)N)C(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C53H76N14O9/c1-29(2)21-41(47(56)70)58-20-19-38(30(3)4)64-52(75)43(24-35-26-57-28-61-35)63-45(69)27-60-53(76)46(31(5)6)67-48(71)32(7)62-51(74)42(23-34-25-59-39-16-12-11-15-36(34)39)66-50(73)40(17-18-44(55)68)65-49(72)37(54)22-33-13-9-8-10-14-33/h8-16,19-20,25-26,28-32,37-38,40-43,46,58-59H,17-18,21-24,27,54H2,1-7H3,(H2,55,68)(H2,56,70)(H,57,61)(H,60,76)(H,62,74)(H,63,69)(H,64,75)(H,65,72)(H,66,73)(H,67,71)/b20-19+/t32-,37+,38+,40-,41+,42-,43-,46-/m0/s1