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

Systemtic Name: (4S)-4-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-5-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-5-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-5-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C46H53N9O10 MolecularWeight: 891.96732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CCC(=O)O)NC(=O)C(CO)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)N

InChI

InChI=1S/C46H53N9O10/c1-24(2)40(45(63)54-38(46(64)65)19-27-22-50-34-14-8-5-11-30(27)34)55-44(62)37(18-26-21-49-33-13-7-4-10-29(26)33)53-43(61)36(17-25-20-48-32-12-6-3-9-28(25)32)52-42(60)35(15-16-39(57)58)51-41(59)31(47)23-56/h3-14,20-22,24,31,35-38,40,48-50,56H,15-19,23,47H2,1-2H3,(H,51,59)(H,52,60)(H,53,61)(H,54,63)(H,55,62)(H,57,58)(H,64,65)/t31-,35-,36-,37-,38-,40-/m0/s1