Cfpyitrpgtyhdwwytrknro

Structural Information

Molecular Formula

C₁₄₁H₁₉₇N₃₉O₃₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)[C@H]9C(CC=N9)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CS)N

InChI

InChI=1S/C141H197N39O33S/c1-7-73(2)113(176-127(201)100(60-81-41-47-87(186)48-42-81)172-130(204)108-36-23-57-180(108)137(211)106(174-117(191)90(143)71-214)61-78-24-9-8-10-25-78)132(206)178-116(77(6)183)135(209)164-96(34-21-54-156-141(149)150)136(210)179-56-22-35-107(179)129(203)159-70-110(188)175-114(75(4)181)133(207)173-98(58-79-37-43-85(184)44-38-79)121(195)169-103(64-84-69-151-72-160-84)124(198)171-105(66-111(189)190)126(200)168-102(63-83-68-158-92-29-14-12-27-89(83)92)123(197)167-101(62-82-67-157-91-28-13-11-26-88(82)91)122(196)166-99(59-80-39-45-86(185)46-40-80)128(202)177-115(76(5)182)134(208)163-95(33-20-53-155-140(147)148)118(192)161-93(30-15-17-50-142)120(194)170-104(65-109(144)187)125(199)162-94(32-19-52-154-139(145)146)119(193)165-97(138(212)213)31-16-18-51-153-131(205)112-74(3)49-55-152-112/h8-14,24-29,37-48,55,67-69,72-77,90,93-108,112-116,157-158,181-186,214H,7,15-23,30-36,49-54,56-66,70-71,142-143H2,1-6H3,(H2,144,187)(H,151,160)(H,153,205)(H,159,203)(H,161,192)(H,162,199)(H,163,208)(H,164,209)(H,165,193)(H,166,196)(H,167,197)(H,168,200)(H,169,195)(H,170,194)(H,171,198)(H,172,204)(H,173,207)(H,174,191)(H,175,188)(H,176,201)(H,177,202)(H,178,206)(H,189,190)(H,212,213)(H4,145,146,154)(H4,147,148,155)(H4,149,150,156)/t73-,74?,75+,76+,77+,90-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,112+,113-,114-,115-,116-/m0/s1

InChIKey

NQHQGHPTGXJNDC-YNHFQIBYSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-[[(2R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]hexanoic acid

Related CIDs

• CID 71597885