C28b2

Structural Information

Molecular Formula

C₁₄₉H₂₃₃N₃₇O₅₁S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]4CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)CC(C)C)CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C149H233N37O51S2/c1-15-73(11)118(183-123(211)83(153)38-48-112(198)199)146(234)178-102(64-116(206)207)140(228)176-101(63-111(158)197)138(226)173-99(61-79-30-36-82(192)37-31-79)142(230)186-121(76(14)189)149(237)179-103(65-117(208)209)139(227)174-98(60-78-28-34-81(191)35-29-78)141(229)184-119(74(12)16-2)147(235)177-97(59-77-26-32-80(190)33-27-77)136(224)182-106-68-239-238-67-105(181-135(223)96(58-72(9)10)171-134(222)95(57-71(7)8)172-145(106)233)144(232)162-86(25-19-22-54-152)126(214)180-104(66-187)143(231)167-89(41-47-109(156)195)132(220)185-120(75(13)188)148(236)168-88(40-46-108(155)194)128(216)163-87(39-45-107(154)193)127(215)165-90(42-49-113(200)201)129(217)161-85(24-18-21-53-151)125(213)175-100(62-110(157)196)137(225)166-91(43-50-114(202)203)130(218)160-84(23-17-20-52-150)124(212)164-92(44-51-115(204)205)131(219)170-94(56-70(5)6)133(221)169-93(122(159)210)55-69(3)4/h26-37,69-76,83-106,118-121,187-192H,15-25,38-68,150-153H2,1-14H3,(H2,154,193)(H2,155,194)(H2,156,195)(H2,157,196)(H2,158,197)(H2,159,210)(H,160,218)(H,161,217)(H,162,232)(H,163,216)(H,164,212)(H,165,215)(H,166,225)(H,167,231)(H,168,236)(H,169,221)(H,170,219)(H,171,222)(H,172,233)(H,173,226)(H,174,227)(H,175,213)(H,176,228)(H,177,235)(H,178,234)(H,179,237)(H,180,214)(H,181,223)(H,182,224)(H,183,211)(H,184,229)(H,185,220)(H,186,230)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)/t73-,74-,75+,76+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,118-,119-,120-,121-/m0/s1

InChIKey

BCNWECNFBHDRKW-VZIFYBCDSA-N

Compound name

(4S)-4-amino-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(4R,7S,10S,13S)-4-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-7,10-bis(2-methylpropyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradec-13-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-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-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49768319