Current position:Home >Product >

(1R,2R)-2-[[(3S)-3-[[(3R)-7-azanyl-3-[[(1R,2R)-2-[[(3S)-3-[[(3R)-7-azanyl-3-[[(1R,2R)-2-[[(3S)-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-[[(3R)-3,7-bis(azanyl)heptanoyl]amino]butanoyl]amino]cyclohexyl]carbonylamino]heptanoyl]amino]-4-(2-azanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]cyclohexyl]carbonylamino]heptanoyl]amino]-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)butanoyl]amino]-N-(3-azanyl-3-oxidanylidene-propyl)cyclohexane-1-carboxamide

Systemtic Name:	(1R,2R)-2-[[(3S)-3-[[(3R)-7-azanyl-3-[[(1R,2R)-2-[[(3S)-3-[[(3R)-7-azanyl-3-[[(1R,2R)-2-[[(3S)-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-[[(3R)-3,7-bis(azanyl)heptanoyl]amino]butanoyl]amino]cyclohexyl]carbonylamino]heptanoyl]amino]-4-(2-azanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]cyclohexyl]carbonylamino]heptanoyl]amino]-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)butanoyl]amino]-N-(3-azanyl-3-oxidanylidene-propyl)cyclohexane-1-carboxamide
Openeye Name:	(1R,2R)-2-[[(3S)-3-[[(3R)-7-amino-3-[[(1R,2R)-2-[[(3S)-3-[[(3R)-7-amino-3-[[(1R,2R)-2-[[(3S)-4-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(3R)-3,7-diaminoheptanoyl]amino]butanoyl]amino]cyclohexanecarbonyl]amino]heptanoyl]amino]-4-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]cyclohexanecarbonyl]amino]heptanoyl]amino]-4-(4-amino-2-oxo-pyrimidin-1-yl)butanoyl]amino]-N-(3-amino-3-oxo-propyl)cyclohexanecarboxamide
CAS Name:	(1R,2R)-2-[[(3S)-3-[[(3R)-7-amino-3-[[[(1R,2R)-2-[[(3S)-3-[[(3R)-7-amino-3-[[[(1R,2R)-2-[[(3S)-4-(4-amino-2-oxo-1-pyrimidinyl)-3-[[(3R)-3,7-diamino-1-oxoheptyl]amino]-1-oxobutyl]amino]cyclohexyl]-oxomethyl]amino]-1-oxoheptyl]amino]-4-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-1-oxobutyl]amino]cyclohexyl]-oxomethyl]amino]-1-oxoheptyl]amino]-4-(4-amino-2-oxo-1-pyrimidinyl)-1-oxobutyl]amino]-N-(3-amino-3-oxopropyl)-1-cyclohexanecarboxamide
IUPAC Name:	(1R,2R)-2-[[(3S)-3-[[(3R)-7-amino-3-[[(1R,2R)-2-[[(3S)-3-[[(3R)-7-amino-3-[[(1R,2R)-2-[[(3S)-4-(4-amino-2-oxopyrimidin-1-yl)-3-[[(3R)-3,7-diaminoheptanoyl]amino]butanoyl]amino]cyclohexanecarbonyl]amino]heptanoyl]amino]-4-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]cyclohexanecarbonyl]amino]heptanoyl]amino]-4-(4-amino-2-oxopyrimidin-1-yl)butanoyl]amino]-N-(3-amino-3-oxopropyl)cyclohexane-1-carboxamide
Traditional Name:	(1R,2R)-2-[[(3S)-3-[[(3R)-7-amino-3-[[(1R,2R)-2-[[(3S)-3-[[(3R)-7-amino-3-[[(1R,2R)-2-[[(3S)-4-(4-amino-2-keto-pyrimidin-1-yl)-3-[[(3R)-3,7-diaminoheptanoyl]amino]butanoyl]amino]cyclohexanecarbonyl]amino]heptanoyl]amino]-4-(2-amino-4-keto-1H-pyrrolo[2,3-d]pyrimidin-7-yl)butanoyl]amino]cyclohexanecarbonyl]amino]heptanoyl]amino]-4-(4-amino-2-keto-pyrimidin-1-yl)butanoyl]amino]-N-(3-amino-3-keto-propyl)cyclohexanecarboxamide
Formula:	C₇₁H₁₁₄N₂₄O₁₃
MolecularWeight:	1511.81786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCC(=O)N)NC(=O)CC(CN2C=CC(=NC2=O)N)NC(=O)CC(CCCCN)NC(=O)C3CCCCC3NC(=O)CC(CN4C=CC5=C4NC(=NC5=O)N)NC(=O)CC(CCCCN)NC(=O)C6CCCCC6NC(=O)CC(CN7C=CC(=NC7=O)N)NC(=O)CC(CCCCN)N

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NCCC(=O)N)NC(=O)C[C@@H](CN2C=CC(=NC2=O)N)NC(=O)C[C@@H](CCCCN)NC(=O)[C@@H]3CCCC[C@H]3NC(=O)C[C@@H](CN4C=CC5=C4NC(=NC5=O)N)NC(=O)C[C@@H](CCCCN)NC(=O)[C@@H]6CCCC[C@H]6NC(=O)C[C@@H](CN7C=CC(=NC7=O)N)NC(=O)C[C@@H](CCCCN)N

InChI

InChI=1S/C71H114N24O13/c72-26-10-7-13-42(75)33-58(97)81-46(40-94-31-24-55(76)89-70(94)107)37-63(102)88-54-21-6-3-18-50(54)67(105)84-43(14-8-11-27-73)34-59(98)82-45(39-93-30-23-51-64(93)91-69(79)92-68(51)106)36-61(100)87-53-20-5-2-17-49(53)66(104)85-44(15-9-12-28-74)35-60(99)83-47(41-95-32-25-56(77)90-71(95)108)38-62(101)86-52-19-4-1-16-48(52)65(103)80-29-22-57(78)96/h23-25,30-32,42-50,52-54H,1-22,26-29,33-41,72-75H2,(H2,78,96)(H,80,103)(H,81,97)(H,82,98)(H,83,99)(H,84,105)(H,85,104)(H,86,101)(H,87,100)(H,88,102)(H2,76,89,107)(H2,77,90,108)(H3,79,91,92,106)/t42-,43-,44-,45+,46+,47+,48-,49-,50-,52-,53-,54-/m1/s1

Other Product