F-k-l-p-i-q-k-e-t-w-e-t-w-w-d-n-y-w-q-v-t-w

Structural Information

Molecular Formula

C₁₄₉H₁₉₉N₃₃O₃₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCCS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C149H199N33O35S/c1-10-78(6)124(178-143(211)116-43-28-59-182(116)149(217)115(61-76(2)3)176-131(199)101(41-24-26-56-150)162-128(196)95(152)62-82-29-12-11-13-30-82)145(213)167-103(48-52-117(153)187)132(200)163-102(42-25-27-57-151)130(198)164-105(50-54-120(190)191)134(202)179-125(79(7)183)146(214)174-111(67-87-74-160-99-39-22-17-34-93(87)99)138(206)166-106(51-55-121(192)193)135(203)180-126(80(8)184)147(215)175-112(68-88-75-161-100-40-23-18-35-94(88)100)140(208)170-110(66-86-73-159-98-38-21-16-33-92(86)98)139(207)172-114(70-122(194)195)142(210)171-113(69-119(155)189)141(209)168-107(63-83-44-46-89(186)47-45-83)136(204)169-109(65-85-72-158-97-37-20-15-32-91(85)97)137(205)165-104(49-53-118(154)188)133(201)177-123(77(4)5)144(212)181-127(81(9)185)148(216)173-108(129(197)156-58-60-218)64-84-71-157-96-36-19-14-31-90(84)96/h11-23,29-40,44-47,71-81,95,101-116,123-127,157-161,183-186,218H,10,24-28,41-43,48-70,150-152H2,1-9H3,(H2,153,187)(H2,154,188)(H2,155,189)(H,156,197)(H,162,196)(H,163,200)(H,164,198)(H,165,205)(H,166,206)(H,167,213)(H,168,209)(H,169,204)(H,170,208)(H,171,210)(H,172,207)(H,173,216)(H,174,214)(H,175,215)(H,176,199)(H,177,201)(H,178,211)(H,179,202)(H,180,203)(H,181,212)(H,190,191)(H,192,193)(H,194,195)/t78-,79+,80+,81+,95-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,123-,124-,125-,126-,127-/m0/s1

InChIKey

XPADUYTXSPNURD-LLZLWZMOSA-N

Compound name

(4S)-4-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-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-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130581