X4ntp-(1-28)

Structural Information

Molecular Formula

C₁₃₀H₁₉₄N₃₀O₅₃S₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CS)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C130H194N30O53S4/c1-10-60(3)102(156-94(173)54-135-107(189)72(29-33-95(174)175)139-106(188)70(132)37-42-215-7)125(207)153-88(58-164)123(205)157-103(61(4)11-2)126(208)151-80(47-66-21-27-69(169)28-22-66)120(202)159-105(63(6)166)128(210)154-87(57-163)122(204)150-83(50-100(184)185)117(199)148-81(48-91(133)170)115(197)147-79(46-65-19-25-68(168)26-20-65)119(201)158-104(62(5)165)127(209)144-74(31-35-97(178)179)112(194)141-73(30-34-96(176)177)111(193)142-75(38-43-216-8)108(190)134-53-93(172)138-85(55-161)109(191)136-52-92(171)137-82(49-99(182)183)116(198)146-78(45-64-17-23-67(167)24-18-64)114(196)149-84(51-101(186)187)118(200)152-86(56-162)121(203)143-76(39-44-217-9)113(195)140-71(15-12-13-40-131)110(192)145-77(32-36-98(180)181)129(211)160-41-14-16-90(160)124(206)155-89(59-214)130(212)213/h17-28,60-63,70-90,102-105,161-169,214H,10-16,29-59,131-132H2,1-9H3,(H2,133,170)(H,134,190)(H,135,189)(H,136,191)(H,137,171)(H,138,172)(H,139,188)(H,140,195)(H,141,194)(H,142,193)(H,143,203)(H,144,209)(H,145,192)(H,146,198)(H,147,197)(H,148,199)(H,149,196)(H,150,204)(H,151,208)(H,152,200)(H,153,207)(H,154,210)(H,155,206)(H,156,173)(H,157,205)(H,158,201)(H,159,202)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,212,213)/t60-,61-,62+,63+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,102-,103-,104-,105-/m0/s1

InChIKey

ZOMPTBOCZQZBKP-HTYNUHAFSA-N

Compound name

(4S)-5-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-[(2S)-2-[[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134121