Ac-c28b1

Structural Information

Molecular Formula

C₁₅₂H₂₃₆N₃₆O₅₃S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2=CC=C(C=C2)O)[C@@H](C)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC4=CC=C(C=C4)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]([C@@H](C)O)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](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)NC(=O)C

InChI

InChI=1S/C152H236N36O53S2/c1-16-75(11)121(185-135(224)89(161-79(15)192)42-50-114(200)201)150(239)181-106(67-120(212)213)143(232)183-108-69-242-243-70-109(184-152(241)124(78(14)191)188-145(234)103(177-147(108)236)64-82-31-37-85(195)38-32-82)148(237)176-102(63-81-29-35-84(194)36-30-81)144(233)186-122(76(12)17-2)149(238)180-101(62-80-27-33-83(193)34-28-80)140(229)179-105(66-119(210)211)142(231)175-100(61-74(9)10)139(228)174-98(59-72(5)6)137(226)168-94(44-52-116(204)205)132(221)164-88(26-20-23-57-155)128(217)182-107(68-189)146(235)170-92(41-49-112(158)198)136(225)187-123(77(13)190)151(240)171-91(40-48-111(157)197)130(219)165-90(39-47-110(156)196)129(218)167-93(43-51-115(202)203)131(220)163-87(25-19-22-56-154)127(216)178-104(65-113(159)199)141(230)169-95(45-53-117(206)207)133(222)162-86(24-18-21-55-153)126(215)166-96(46-54-118(208)209)134(223)173-99(60-73(7)8)138(227)172-97(125(160)214)58-71(3)4/h27-38,71-78,86-109,121-124,189-191,193-195H,16-26,39-70,153-155H2,1-15H3,(H2,156,196)(H2,157,197)(H2,158,198)(H2,159,199)(H2,160,214)(H,161,192)(H,162,222)(H,163,220)(H,164,221)(H,165,219)(H,166,215)(H,167,218)(H,168,226)(H,169,230)(H,170,235)(H,171,240)(H,172,227)(H,173,223)(H,174,228)(H,175,231)(H,176,237)(H,177,236)(H,178,216)(H,179,229)(H,180,238)(H,181,239)(H,182,217)(H,183,232)(H,184,241)(H,185,224)(H,186,233)(H,187,225)(H,188,234)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)/t75-,76-,77+,78+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108+,109-,121-,122-,123-,124-/m0/s1

InChIKey

MVUMMIHSBXTPHB-NCFJAGAQSA-N

Compound name

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

Related CIDs

• CID 49768321