Nh2-pro-gln-ile-thr-leu-arg-lys-lys-arg-arg-gln-arg-arg-arg-pro-pro-gln-val-ser-phe-asn-phe-cys-thr-leu-asn-phe-cooh

Structural Information

Molecular Formula

C₁₅₀H₂₄₈N₅₂O₃₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]6CCCN6

InChI

InChI=1S/C150H248N52O36S/c1-11-80(8)115(198-128(221)95(52-55-110(154)207)184-118(211)86-42-25-59-170-86)139(232)200-117(82(10)205)141(234)192-98(68-77(2)3)129(222)183-92(46-29-63-174-148(164)165)123(216)178-87(40-21-23-57-151)119(212)177-88(41-22-24-58-152)120(213)179-89(43-26-60-171-145(158)159)121(214)180-91(45-28-62-173-147(162)163)124(217)185-94(51-54-109(153)206)126(219)182-90(44-27-61-172-146(160)161)122(215)181-93(47-30-64-175-149(166)167)125(218)187-97(48-31-65-176-150(168)169)142(235)202-67-33-50-108(202)143(236)201-66-32-49-107(201)137(230)186-96(53-56-111(155)208)127(220)197-114(79(6)7)138(231)195-105(75-203)135(228)189-100(70-83-34-15-12-16-35-83)131(224)191-102(73-112(156)209)133(226)188-101(71-84-36-17-13-18-37-84)132(225)196-106(76-239)136(229)199-116(81(9)204)140(233)193-99(69-78(4)5)130(223)190-103(74-113(157)210)134(227)194-104(144(237)238)72-85-38-19-14-20-39-85/h12-20,34-39,77-82,86-108,114-117,170,203-205,239H,11,21-33,40-76,151-152H2,1-10H3,(H2,153,206)(H2,154,207)(H2,155,208)(H2,156,209)(H2,157,210)(H,177,212)(H,178,216)(H,179,213)(H,180,214)(H,181,215)(H,182,219)(H,183,222)(H,184,211)(H,185,217)(H,186,230)(H,187,218)(H,188,226)(H,189,228)(H,190,223)(H,191,224)(H,192,234)(H,193,233)(H,194,227)(H,195,231)(H,196,225)(H,197,220)(H,198,221)(H,199,229)(H,200,232)(H,237,238)(H4,158,159,171)(H4,160,161,172)(H4,162,163,173)(H4,164,165,174)(H4,166,167,175)(H4,168,169,176)/t80-,81+,82+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,114-,115-,116-,117-/m0/s1

InChIKey

VKHCLUFVANOACY-IWLJYCRTSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 16158369