Current position:Home >Product >

2-[4-[2-[[2-[[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfinyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene

Systemtic Name:	2-[4-[2-[[2-[[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfinyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene
Openeye Name:	2-[4-[2-[[2-[[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R)-4-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfinyl-propyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]amino]-1-methyl-4-oxo-butyl]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phena
CAS Name:	2-[4-[2-[[2-[[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfinyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentan-2-yl]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclope
IUPAC Name:	2-[4-[2-[[2-[[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfinyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentan-2-yl]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclope
Traditional Name:	2-[4-[2-[[2-[[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R)-4-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfinyl-propyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-4-keto-butyl]amino]-4-keto-1-methyl-butyl]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a
Formula:	C₈₅H₁₃₀LuN₁₉O₂₁S
MolecularWeight:	1963.065155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCS(=O)C)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)CCC(C)C4CCC5C4(C(CC6C5C(CC7C6(CCC(C7)NC(=O)CNC(=O)CN8CCN(CCN(CCN(CC8)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C)O)O)C.[Lu+3]

Isomeric SMILES

C[C@H](CCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCS(=O)C)C(=O)N)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@@H](C7)NC(=O)CNC(=O)CN8CCN(CCN(CCN(CC8)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C)O)O)C.[177Lu+3]

InChI

InChI=1S/C85H133N19O21S.Lu/c1-47(2)32-62(81(122)97-60(77(87)118)21-31-126(9)125)98-82(123)64(36-54-39-88-46-92-54)96-70(110)41-91-83(124)76(48(3)4)100-78(119)50(6)93-80(121)63(33-51-38-89-59-13-11-10-12-55(51)59)99-79(120)61(17-18-67(86)107)95-68(108)19-14-49(5)56-15-16-57-75-58(37-66(106)85(56,57)8)84(7)22-20-53(34-52(84)35-65(75)105)94-69(109)40-90-71(111)42-101-23-25-102(43-72(112)113)27-29-104(45-74(116)117)30-28-103(26-24-101)44-73(114)115;/h10-13,38-39,46-50,52-53,56-58,60-66,75-76,89,105-106H,14-37,40-45H2,1-9H3,(H2,86,107)(H2,87,118)(H,88,92)(H,90,111)(H,91,124)(H,93,121)(H,94,109)(H,95,108)(H,96,110)(H,97,122)(H,98,123)(H,99,120)(H,100,119)(H,112,113)(H,114,115)(H,116,117);/q;+3/p-3/t49-,50+,52+,53+,56-,57+,58+,60+,61+,62+,63+,64+,65-,66+,75+,76+,84+,85-,126?;/m1./s1/i;1+2

Other Product