(4S)-4-azanyl-5-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-3-hydroxy-1-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-3-hydroxy-1-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C48H64N10O13 MolecularWeight: 989.08096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C48H64N10O13/c1-23(2)17-34(45(67)56-37(20-39(61)62)44(66)53-26(6)48(70)71)57-47(69)40(24(3)4)58-46(68)36(19-28-22-51-33-14-10-8-12-30(28)33)54-41(63)25(5)52-43(65)35(55-42(64)31(49)15-16-38(59)60)18-27-21-50-32-13-9-7-11-29(27)32/h7-14,21-26,31,34-37,40,50-51H,15-20,49H2,1-6H3,(H,52,65)(H,53,66)(H,54,63)(H,55,64)(H,56,67)(H,57,69)(H,58,68)(H,59,60)(H,61,62)(H,70,71)/t25-,26-,31-,34-,35-,36-,37-,40-/m0/s1