Current position:Home >Product >

4-[[2-[[2-[[2-[2-[[2-[[1-[2-[[2-(2-azanylpropanoylamino)-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[[1-[[2-[2-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name:	4-[[2-[[2-[[2-[2-[[2-[[1-[2-[[2-(2-azanylpropanoylamino)-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[[1-[[2-[2-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Openeye Name:	4-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-(2-aminopropanoylamino)-4-methyl-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-5-[[2-[[2-[2-[(1-carboxy-4-guanidino-butyl)carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
CAS Name:	4-[[2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[(2-amino-1-oxopropyl)amino]-4-methyl-1-oxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-[[1-[[2-[2-[[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name:	4-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-5-hydroxy-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[1-[[2-[2-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Traditional Name:	4-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-(alanylamino)-4-methyl-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]prolyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-5-[[2-[[2-[2-[(1-carboxy-4-guanidino-butyl)carbamoyl]pyrrolidino]-2-keto-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid
Formula:	C₅₈H₉₃N₁₉O₂₃
MolecularWeight:	1424.47252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C)N

InChI

InChI=1S/C58H93N19O23/c1-27(2)18-34(71-46(88)28(3)59)49(91)69-32(12-14-44(86)87)56(98)77-17-7-10-40(77)54(96)75-45(29(4)81)55(97)64-21-41(82)67-36(23-78)50(92)73-38(25-80)52(94)74-37(24-79)51(93)68-31(11-13-43(84)85)48(90)72-35(19-30-20-62-26-66-30)47(89)65-22-42(83)76-16-6-9-39(76)53(95)70-33(57(99)100)8-5-15-63-58(60)61/h20,26-29,31-40,45,78-81H,5-19,21-25,59H2,1-4H3,(H,62,66)(H,64,97)(H,65,89)(H,67,82)(H,68,93)(H,69,91)(H,70,95)(H,71,88)(H,72,90)(H,73,92)(H,74,94)(H,75,96)(H,84,85)(H,86,87)(H,99,100)(H4,60,61,63)

Other Product