Natps-rh-29

Structural Information

Molecular Formula

C₁₅₇H₂₅₂N₄₄O₄₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)C

InChI

InChI=1S/C157H252N44O43S/c1-20-83(13)124(199-129(219)86(16)174-138(228)112(72-121(213)214)191-144(234)108(67-89-35-24-22-25-36-89)188-142(232)107(176-88(18)206)69-91-44-48-93(207)49-45-91)153(243)193-110(68-90-37-26-23-27-38-90)146(236)201-126(87(17)205)154(244)194-111(71-119(162)211)145(235)197-116(77-204)150(240)189-109(70-92-46-50-94(208)51-47-92)143(233)182-99(43-34-61-172-157(168)169)132(222)181-97(40-29-31-58-159)137(227)198-123(82(11)12)151(241)192-103(63-78(3)4)130(220)173-74-120(212)177-100(52-54-117(160)209)134(224)186-106(66-81(9)10)141(231)196-114(75-202)148(238)175-85(15)128(218)179-98(42-33-60-171-156(166)167)131(221)180-96(39-28-30-57-158)133(223)185-105(65-80(7)8)140(230)187-104(64-79(5)6)139(229)183-101(53-55-118(161)210)135(225)190-113(73-122(215)216)147(237)200-125(84(14)21-2)152(242)184-102(56-62-245-19)136(226)195-115(76-203)149(239)178-95(127(163)217)41-32-59-170-155(164)165/h22-27,35-38,44-51,78-87,95-116,123-126,202-205,207-208H,20-21,28-34,39-43,52-77,158-159H2,1-19H3,(H2,160,209)(H2,161,210)(H2,162,211)(H2,163,217)(H,173,220)(H,174,228)(H,175,238)(H,176,206)(H,177,212)(H,178,239)(H,179,218)(H,180,221)(H,181,222)(H,182,233)(H,183,229)(H,184,242)(H,185,223)(H,186,224)(H,187,230)(H,188,232)(H,189,240)(H,190,225)(H,191,234)(H,192,241)(H,193,243)(H,194,244)(H,195,226)(H,196,231)(H,197,235)(H,198,227)(H,199,219)(H,200,237)(H,201,236)(H,213,214)(H,215,216)(H4,164,165,170)(H4,166,167,171)(H4,168,169,172)/t83-,84-,85-,86-,87+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,123-,124-,125-,126-/m0/s1

InChIKey

ZADZHIQNEPVWIV-QSAFYHFUSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-aminohexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 56841984
• CID 90479763