(4s)-4-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-4-carboxy-2-[[(2s,3r)-2-[[(2s)-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-4-carboxy-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-4-carboxy-2-[[(2s)-2,6-diaminohexanoyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2s)-1-[[(2s)-4-carboxy-1-oxo-1-(2-sulfanylethylamino)butan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Structural Information

Molecular Formula

C₁₄₆H₁₈₀N₃₀O₃₈S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCS)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C146H180N30O38S/c1-73(126(194)172-122(74(2)177)143(211)170-112(65-84-71-155-99-32-16-10-25-92(84)99)139(207)171-114(60-79-37-41-87(182)42-38-79)146(214)176-57-20-34-115(176)141(209)162-103(45-51-118(186)187)130(198)165-108(61-80-67-151-95-28-12-6-21-88(80)95)135(203)159-101(44-50-117(184)185)128(196)150-56-58-215)157-129(197)102(43-49-116(149)183)160-136(204)109(62-81-68-152-96-29-13-7-22-89(81)96)166-134(202)107(59-78-35-39-86(181)40-36-78)164-131(199)104(46-52-119(188)189)163-142(210)123(75(3)178)175-140(208)113(66-85-72-156-100-33-17-11-26-93(85)100)167-138(206)111(64-83-70-154-98-31-15-9-24-91(83)98)169-145(213)125(77(5)180)174-133(201)106(48-54-121(192)193)161-137(205)110(63-82-69-153-97-30-14-8-23-90(82)97)168-144(212)124(76(4)179)173-132(200)105(47-53-120(190)191)158-127(195)94(148)27-18-19-55-147/h6-17,21-26,28-33,35-42,67-77,94,101-115,122-125,151-156,177-182,215H,18-20,27,34,43-66,147-148H2,1-5H3,(H2,149,183)(H,150,196)(H,157,197)(H,158,195)(H,159,203)(H,160,204)(H,161,205)(H,162,209)(H,163,210)(H,164,199)(H,165,198)(H,166,202)(H,167,206)(H,168,212)(H,169,213)(H,170,211)(H,171,207)(H,172,194)(H,173,200)(H,174,201)(H,175,208)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,192,193)/t73-,74+,75+,76+,77+,94-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,122-,123-,124-,125-/m0/s1

InChIKey

YHXXFIMQQUZZNV-RTFCCCIYSA-N

Compound name

(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-oxo-1-(2-sulfanylethylamino)butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130587