C28b3

Structural Information

Molecular Formula

C₁₄₉H₂₃₁N₃₇O₅₂S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)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](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(=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](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]4CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)CCC(=O)N)CCC(=O)N)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](CCCCN)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)N

InChI

InChI=1S/C149H231N37O52S2/c1-14-73(11)119(184-123(212)82(153)37-47-112(197)198)147(236)179-102(64-117(207)208)141(230)176-100(62-111(158)196)138(227)173-98(60-78-29-35-81(191)36-30-78)143(232)186-121(75(13)188)149(238)180-103(65-118(209)210)140(229)174-97(59-77-27-33-80(190)34-28-77)142(231)185-120(74(12)15-2)148(237)178-96(58-76-25-31-79(189)32-26-76)136(225)177-101(63-116(205)206)139(228)172-95(57-72(9)10)135(224)171-93(55-70(5)6)133(222)165-89(41-48-113(199)200)128(217)161-85(24-18-21-53-152)126(215)181-104(66-187)144(233)167-88(40-46-109(156)194)132(221)183-106-68-240-239-67-105(182-131(220)87(39-45-108(155)193)163-127(216)86(168-146(106)235)38-44-107(154)192)145(234)162-84(23-17-20-52-151)125(214)175-99(61-110(157)195)137(226)166-90(42-49-114(201)202)129(218)160-83(22-16-19-51-150)124(213)164-91(43-50-115(203)204)130(219)170-94(56-71(7)8)134(223)169-92(122(159)211)54-69(3)4/h25-36,69-75,82-106,119-121,187-191H,14-24,37-68,150-153H2,1-13H3,(H2,154,192)(H2,155,193)(H2,156,194)(H2,157,195)(H2,158,196)(H2,159,211)(H,160,218)(H,161,217)(H,162,234)(H,163,216)(H,164,213)(H,165,222)(H,166,226)(H,167,233)(H,168,235)(H,169,223)(H,170,219)(H,171,224)(H,172,228)(H,173,227)(H,174,229)(H,175,214)(H,176,230)(H,177,225)(H,178,237)(H,179,236)(H,180,238)(H,181,215)(H,182,220)(H,183,221)(H,184,212)(H,185,231)(H,186,232)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)/t73-,74-,75+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,119-,120-,121-/m0/s1

InChIKey

WZLRPPKERLSQOS-PTTNARISSA-N

Compound name

(4S)-4-amino-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(4R,7S,10S,13S)-4-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-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-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-7,10-bis(3-amino-3-oxopropyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradec-13-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-carboxy-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]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49768320