Hiv35

Structural Information

Molecular Formula

C₁₄₂H₂₂₅N₃₇O₅₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C142H225N37O55/c1-16-68(13)113(177-134(226)89(51-66(9)10)169-138(230)96(60-181)175-131(223)92(54-72-58-151-62-152-72)173-141(233)114(69(14)17-2)178-135(227)90(52-67(11)12)170-139(231)97(61-182)176-142(234)115(70(15)183)179-136(228)91(153-104(191)39-46-111(204)205)53-71-21-23-73(184)24-22-71)140(232)164-84(34-45-110(202)203)123(215)159-83(33-44-109(200)201)127(219)174-95(59-180)137(229)163-78(28-38-101(147)188)124(216)172-94(56-103(149)190)132(224)160-77(27-37-100(146)187)120(212)155-75(25-35-98(144)185)118(210)157-79(29-40-105(192)193)121(213)154-74(20-18-19-47-143)117(209)171-93(55-102(148)189)133(225)162-80(30-41-106(194)195)122(214)156-76(26-36-99(145)186)119(211)158-81(31-42-107(196)197)125(217)167-88(50-65(7)8)130(222)168-86(48-63(3)4)128(220)161-82(32-43-108(198)199)126(218)166-87(49-64(5)6)129(221)165-85(116(150)208)57-112(206)207/h21-24,58,62-70,74-97,113-115,180-184H,16-20,25-57,59-61,143H2,1-15H3,(H2,144,185)(H2,145,186)(H2,146,187)(H2,147,188)(H2,148,189)(H2,149,190)(H2,150,208)(H,151,152)(H,153,191)(H,154,213)(H,155,212)(H,156,214)(H,157,210)(H,158,211)(H,159,215)(H,160,224)(H,161,220)(H,162,225)(H,163,229)(H,164,232)(H,165,221)(H,166,218)(H,167,217)(H,168,222)(H,169,230)(H,170,231)(H,171,209)(H,172,216)(H,173,233)(H,174,219)(H,175,223)(H,176,234)(H,177,226)(H,178,227)(H,179,228)(H,192,193)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)/t68-,69-,70+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,113-,114-,115-/m0/s1

InChIKey

WXASJMYVOBUQCR-BEPLABNISA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130277