| Chemical & Physical Properties | |
|---|---|
| CAS Number | 98914-01-3 |
| Catalog No. | 2A-2188218 |
| Chinese Name | Subtilosin A |
| Synonyms | Subtilosin A |
| Molecular Formula | C129H208N36O41S3 |
| Molecular Weight | 3015.5 |
| PubChem ID | 40665999 |
| SMILES | CCC(C)C(NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CS)NC(=O)C(C)NC(=O)C(C)NC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(NC(=O)C(C)NC(=O)C(CS)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC(C)C)NC(=O)CN)C(C)O)C(C)CC)C(C)C)C(C)CC)C(=O)NC(C)C(=O)NCC(=O)NC(C)C(=O)NCC(=O)O |
| InChI | InChI=1S/C129H208N36O41S3/c1-21-63(12)102(161-119(196)83(55-166)156-122(199)86(58-209)158-128(205)105(71(20)167)163-110(187)70(19)145-120(197)84(56-207)150-95(174)51-135-111(188)75(32-26-27-35-130)151-117(194)80(42-89(132)168)149-94(173)50-137-113(190)79(41-72-46-133-74-31-25-24-30-73(72)74)153-116(193)77(39-60(6)7)148-93(172)49-136-112(189)76(38-59(4)5)147-90(169)45-131)125(202)139-48-92(171)143-68(17)108(185)144-69(18)109(186)157-85(57-208)121(198)152-78(40-61(8)9)118(195)160-101(62(10)11)126(203)155-82(44-99(179)180)115(192)140-53-97(176)164-36-28-33-87(164)124(201)162-104(65(14)23-3)129(206)165-37-29-34-88(165)123(200)154-81(43-98(177)178)114(191)138-52-96(175)159-103(64(13)22-2)127(204)146-67(16)107(184)134-47-91(170)142-66(15)106(183)141-54-100(181)182/h24-25,30-31,46,59-71,75-88,101-105,133,166-167,207-209H,21-23,26-29,32-45,47-58,130-131H2,1-20H3,(H2,132,168)(H,134,184)(H,135,188)(H,136,189)(H,137,190)(H,138,191)(H,139,202)(H,140,192)(H,141,183)(H,142,170)(H,143,171)(H,144,185) |
| InChI Key | NRQODXJXWWUXFE-LYQFAKRDSA-N |
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