(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[2-[3-[[4-[(5-chloranyl-1H-indol-2-yl)carbamoyl]phenyl]carbonylamino]-2-oxidanylidene-pyridin-1-yl]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[2-[3-[[4-[(5-chloranyl-1H-indol-2-yl)carbamoyl]phenyl]carbonylamino]-2-oxidanylidene-pyridin-1-yl]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[3-[[4-[(5-chloro-1H-indol-2-yl)carbamoyl]benzoyl]amino]-2-oxo-1-pyridyl]-3-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[3-[[[4-[[(5-chloro-1H-indol-2-yl)amino]-oxomethyl]phenyl]-oxomethyl]amino]-2-oxo-1-pyridinyl]-3-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[3-[[4-[(5-chloro-1H-indol-2-yl)carbamoyl]benzoyl]amino]-2-oxopyridin-1-yl]-3-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[3-[[4-[(5-chloro-1H-indol-2-yl)carbamoyl]benzoyl]amino]-2-keto-1-pyridyl]-3-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-valeric acid Formula: C43H53ClN10O10 MolecularWeight: 905.39492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)O)N1C=CC=C(C1=O)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CCC(C)C(C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)N1C=CC=C(C1=O)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C43H53ClN10O10/c1-5-23(4)35(40(61)51-31(21-34(55)56)39(60)49-29(8-6-16-47-43(45)46)38(59)52-32(42(63)64)18-22(2)3)54-17-7-9-30(41(54)62)50-36(57)24-10-12-25(13-11-24)37(58)53-33-20-26-19-27(44)14-15-28(26)48-33/h7,9-15,17,19-20,22-23,29,31-32,35,48H,5-6,8,16,18,21H2,1-4H3,(H,49,60)(H,50,57)(H,51,61)(H,52,59)(H,53,58)(H,55,56)(H,63,64)(H4,45,46,47)/t23?,29-,31-,32-,35?/m0/s1