C28-lai

Structural Information

Molecular Formula

C₁₄₄H₂₃₀N₄₀O₅₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)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(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C144H230N40O54/c1-17-67(12)113(182-135(229)88(50-65(8)9)170-139(233)97(60-186)179-130(224)91(53-73-58-155-62-156-73)176-142(236)115(69(14)19-3)183-136(230)89(51-66(10)11)171-140(234)98(61-187)180-144(238)116(70(15)188)184-137(231)90(52-72-23-25-74(190)26-24-72)172-133(227)94(56-105(152)197)175-134(228)95(57-106(153)198)177-143(237)114(68(13)18-2)181-128(222)76(157-71(16)189)31-41-107(199)200)141(235)167-85(36-46-112(209)210)124(218)163-84(35-45-111(207)208)127(221)178-96(59-185)138(232)166-80(30-40-102(149)194)125(219)174-93(55-104(151)196)131(225)164-79(29-39-101(148)193)121(215)159-77(27-37-99(146)191)119(213)161-81(32-42-108(201)202)122(216)158-75(22-20-21-47-145)118(212)173-92(54-103(150)195)132(226)165-82(33-43-109(203)204)123(217)160-78(28-38-100(147)192)120(214)162-83(34-44-110(205)206)126(220)169-87(49-64(6)7)129(223)168-86(117(154)211)48-63(4)5/h23-26,58,62-70,75-98,113-116,185-188,190H,17-22,27-57,59-61,145H2,1-16H3,(H2,146,191)(H2,147,192)(H2,148,193)(H2,149,194)(H2,150,195)(H2,151,196)(H2,152,197)(H2,153,198)(H2,154,211)(H,155,156)(H,157,189)(H,158,216)(H,159,215)(H,160,217)(H,161,213)(H,162,214)(H,163,218)(H,164,225)(H,165,226)(H,166,232)(H,167,235)(H,168,223)(H,169,220)(H,170,233)(H,171,234)(H,172,227)(H,173,212)(H,174,219)(H,175,228)(H,176,236)(H,177,237)(H,178,221)(H,179,224)(H,180,238)(H,181,222)(H,182,229)(H,183,230)(H,184,231)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)/t67-,68-,69-,70+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,113-,114-,115-,116-/m0/s1

InChIKey

BBZNZXLQVQEMPR-QSJHGQENSA-N

Compound name

(4S)-4-acetamido-5-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-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]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-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]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133690