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4-azanyl-5-[[5-azanyl-1-[[1-[[5-[bis(azanyl)methylideneamino]-1-[[1-[[1-[2-[[1-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic ac

4-azanyl-5-[[5-azanyl-1-[[1-[[5-[bis(azanyl)methylideneamino]-1-[[1-[[1-[2-[[1-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic ac

Systemtic Name:4-azanyl-5-[[5-azanyl-1-[[1-[[5-[bis(azanyl)methylideneamino]-1-[[1-[[1-[2-[[1-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic ac
Openeye Name:4-amino-5-[[4-amino-1-[[1-[[4-guanidino-1-[[2-[[2-[2-[[1-[[4-guanidino-1-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-oxo-butyl]amino]-5-oxo-pentanoic acid
CAS Name:4-amino-5-[[5-amino-1-[[1-[[5-(diaminomethylideneamino)-1-[[1-[[1-[2-[[[1-[[5-(diaminomethylideneamino)-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name:4-amino-5-[[5-amino-1-[[1-[[5-(diaminomethylideneamino)-1-[[1-[[1-[2-[[1-[[5-(diaminomethylideneamino)-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
Traditional Name:4-amino-5-[[4-amino-1-[[1-[[4-guanidino-1-[[2-[[2-[2-[[1-[[4-guanidino-1-[(2-hydroxy-2-keto-1-methyl-ethyl)carbamoyl]butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidino]-2-keto-1-methylol-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-keto-butyl]amino]-5-keto-valeric acid
Formula: C49H83N19O16
MolecularWeight: 1194.30102
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)O)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCCN=C(N)N)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)N


Isomeric SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)O)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCCN=C(N)N)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)N


InChI

InChI=1S/C49H83N19O16/c1-23(2)18-31(42(78)62-28(8-5-15-57-48(52)53)39(75)60-24(3)47(83)84)65-44(80)34-10-7-17-68(34)46(82)33(21-69)66-43(79)32(19-26-20-56-22-59-26)64-40(76)29(9-6-16-58-49(54)55)63-45(81)37(25(4)70)67-41(77)30(12-13-35(51)71)61-38(74)27(50)11-14-36(72)73/h20,22-25,27-34,37,69-70H,5-19,21,50H2,1-4H3,(H2,51,71)(H,56,59)(H,60,75)(H,61,74)(H,62,78)(H,63,81)(H,64,76)(H,65,80)(H,66,79)(H,67,77)(H,72,73)(H,83,84)(H4,52,53,57)(H4,54,55,58)


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